2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine

C17H18N6OS — CID 126585667

IUPAC2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cc(C)on2)c2c(ccn2Cc2csc(C)n2)n1
InChIInChI=1S/C17H18N6OS/c1-10-6-13(22-24-10)7-18-17-16-15(19-11(2)20-17)4-5-23(16)8-14-9-25-12(3)21-14/h4-6,9H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyZVFXQHSVAUSVJD-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.46
Rot. Bonds5

About 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine

2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 126585667) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID126585667
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cc(C)on2)c2c(ccn2Cc2csc(C)n2)n1
InChIInChI=1S/C17H18N6OS/c1-10-6-13(22-24-10)7-18-17-16-15(19-11(2)20-17)4-5-23(16)8-14-9-25-12(3)21-14/h4-6,9H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyZVFXQHSVAUSVJD-UHFFFAOYSA-N
XLogP3.46
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
CID 126585792
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585795
6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813482
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 130678172
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine
CID 131181946
3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine
CID 102983976
3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole
CID 121401350
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
CID 126585719
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 42415438

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine (CID 126585667) is 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine is Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2csc(C)n2)n1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is ZVFXQHSVAUSVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-10-6-13(22-24-10)7-18-17-16-15(19-11(2)20-17)4-5-23(16)8-14-9-25-12(3)21-14/h4-6,9H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 354.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 126585667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).