3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine

C17H19N7OS — CID 134607113

IUPAC3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(OC(C)C)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C17H19N7OS/c1-10(2)25-16-15-13(5-6-24(15)12-8-18-23(4)9-12)19-17(21-16)20-14-7-11(3)22-26-14/h5-10H,1-4H3,(H,19,20,21)
InChIKeyABNBZLNLOSDGAZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.45
Rot. Bonds5

About 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine

3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine (PubChem CID 134607113) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine
PubChem CID134607113
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(OC(C)C)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C17H19N7OS/c1-10(2)25-16-15-13(5-6-24(15)12-8-18-23(4)9-12)19-17(21-16)20-14-7-11(3)22-26-14/h5-10H,1-4H3,(H,19,20,21)
InChIKeyABNBZLNLOSDGAZ-UHFFFAOYSA-N
XLogP3.45
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine with MolForge

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Related Compounds

US11084823, Example 7
CID 135329774
N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 57691332
N-[1-(2-fluoroethyl)pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 135129251
US11084823, Example 5
CID 135329554
N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 134607118
4-[5-(1-Methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrrolo[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 135129135
N-[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 135129159
N-[5-(1-ethylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 135129165
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
CID 135129166
N-[4-(4-methoxycyclohexyl)oxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 135129167
N-[4-(1-methoxypropan-2-yloxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 135129172
N-[5-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 135129176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine (CID 134607113) is 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(OC(C)C)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine?
The InChIKey is ABNBZLNLOSDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-10(2)25-16-15-13(5-6-24(15)12-8-18-23(4)9-12)19-17(21-16)20-14-7-11(3)22-26-14/h5-10H,1-4H3,(H,19,20,21).
What are the key properties of 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine?
3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine has a molecular weight of 369.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 134607113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).