5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine

C18H21N7O — CID 176715281

IUPAC5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOCC1(C)CN(c2ccccn2)c2nc(Nc3cnn(C)c3)ncc21
InChIInChI=1S/C18H21N7O/c1-18(12-26-3)11-25(15-6-4-5-7-19-15)16-14(18)9-20-17(23-16)22-13-8-21-24(2)10-13/h4-10H,11-12H2,1-3H3,(H,20,22,23)
InChIKeyONRDURPTMDGCDJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.40
Rot. Bonds5

About 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 176715281) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID176715281
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOCC1(C)CN(c2ccccn2)c2nc(Nc3cnn(C)c3)ncc21
InChIInChI=1S/C18H21N7O/c1-18(12-26-3)11-25(15-6-4-5-7-19-15)16-14(18)9-20-17(23-16)22-13-8-21-24(2)10-13/h4-10H,11-12H2,1-3H3,(H,20,22,23)
InChIKeyONRDURPTMDGCDJ-UHFFFAOYSA-N
XLogP2.40
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
(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
(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
4-[(3aS,6aR)-3a,6a-dimethyl-2-pyrimidin-4-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]-5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 155439064
(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
ethyl (3aS,6aR)-3a,6a-dimethyl-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 155455080
(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
2-anilino-5,5-dimethyl-7-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-6-one
CID 134131474
(3aR,6aS)-5-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carbaldehyde
CID 175697307
3-(fluoromethyl)-1-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-ol
CID 176723754
[4-(2-methoxy-3-pyridin-2-ylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methanol
CID 174345548

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 176715281) is 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine is COCC1(C)CN(c2ccccn2)c2nc(Nc3cnn(C)c3)ncc21.
What is the InChIKey of 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ONRDURPTMDGCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-18(12-26-3)11-25(15-6-4-5-7-19-15)16-14(18)9-20-17(23-16)22-13-8-21-24(2)10-13/h4-10H,11-12H2,1-3H3,(H,20,22,23).
What are the key properties of 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 351.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-5-methyl-N-(1-methylpyrazol-4-yl)-7-pyridin-2-yl-6H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 176715281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).