(5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine

C24H32N8O — CID 171624337

IUPAC(5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCNCc1cccc(N2C[C@@](C)(COC(C)(C)C)c3cnc(Nc4cnnc(C)c4)nc32)n1
InChIInChI=1S/C24H32N8O/c1-16-10-18(12-27-31-16)29-22-26-13-19-21(30-22)32(14-24(19,5)15-33-23(2,3)4)20-9-7-8-17(28-20)11-25-6/h7-10,12-13,25H,11,14-15H2,1-6H3,(H,26,29,30,31)/t24-/m0/s1
InChIKeyIJPDVHOLELVHFM-DEOSSOPVSA-N
MW448.58 g/mol
LogP3.66
Rot. Bonds7

About (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine

(5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 171624337) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name(5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID171624337
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name(5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCNCc1cccc(N2C[C@@](C)(COC(C)(C)C)c3cnc(Nc4cnnc(C)c4)nc32)n1
InChIInChI=1S/C24H32N8O/c1-16-10-18(12-27-31-16)29-22-26-13-19-21(30-22)32(14-24(19,5)15-33-23(2,3)4)20-9-7-8-17(28-20)11-25-6/h7-10,12-13,25H,11,14-15H2,1-6H3,(H,26,29,30,31)/t24-/m0/s1
InChIKeyIJPDVHOLELVHFM-DEOSSOPVSA-N
XLogP3.66
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

6-[[(5S)-5-(methoxymethyl)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-6H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-methyl-3H-isoindol-1-one
CID 176715349
(5S)-5-(methoxymethyl)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-N-[6-methyl-5-(4-methylpiperazin-1-yl)cyclohepta-1,4,6-trien-1-yl]-6H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 176715379
(5S)-7-[6-(3-fluoroazetidin-3-yl)-2-pyridinyl]-5-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-N-(4-morpholin-4-ylphenyl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 171624201
5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 176715281
4-[4-[[(5R)-5-(methoxymethyl)-5-methyl-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-methylphenyl]-1-methylpiperazin-2-one
CID 176715420
(5R)-7-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-5-(methoxymethyl)-5-methyl-N-[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]-6H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 176715275
2-methyl-N-[[6-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63619430
1-methyl-6-[[(1R,9R)-1,11,11-trimethyl-8-[6-(methylaminomethyl)-2-pyridinyl]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-5-yl]amino]-3H-azepin-2-one
CID 174332002
N-methyl-1-[6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]methanamine
CID 62279123
1-[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 55158715
N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293152
methanamine;N'-[(Z)-[(4S)-4-(methoxymethyl)-4-methyl-1-[6-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-ylidene]methyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)methanimidamide;molecular hydrogen
CID 176715296

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 171624337) is (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine is CNCc1cccc(N2C[C@@](C)(COC(C)(C)C)c3cnc(Nc4cnnc(C)c4)nc32)n1.
What is the InChIKey of (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is IJPDVHOLELVHFM-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H32N8O/c1-16-10-18(12-27-31-16)29-22-26-13-19-21(30-22)32(14-24(19,5)15-33-23(2,3)4)20-9-7-8-17(28-20)11-25-6/h7-10,12-13,25H,11,14-15H2,1-6H3,(H,26,29,30,31)/t24-/m0/s1.
What are the key properties of (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine?
(5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 448.58 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-7-[6-(methylaminomethyl)-2-pyridinyl]-5-[(2-methylpropan-2-yl)oxymethyl]-N-(6-methylpyridazin-4-yl)-6H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 171624337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).