3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C16H15N7O — CID 99844681

IUPAC3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc([C@H](Nc2ncnc3onc(C)c23)c2ccccc2)n[nH]1
InChIInChI=1S/C16H15N7O/c1-9-12-14(17-8-18-16(12)24-23-9)20-13(11-6-4-3-5-7-11)15-19-10(2)21-22-15/h3-8,13H,1-2H3,(H,17,18,20)(H,19,21,22)/t13-/m1/s1
InChIKeyOLTNWRITLBBABN-CYBMUJFWSA-N
MW321.34 g/mol
LogP2.55
Rot. Bonds4

About 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 99844681) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID99844681
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc([C@H](Nc2ncnc3onc(C)c23)c2ccccc2)n[nH]1
InChIInChI=1S/C16H15N7O/c1-9-12-14(17-8-18-16(12)24-23-9)20-13(11-6-4-3-5-7-11)15-19-10(2)21-22-15/h3-8,13H,1-2H3,(H,17,18,20)(H,19,21,22)/t13-/m1/s1
InChIKeyOLTNWRITLBBABN-CYBMUJFWSA-N
XLogP2.55
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284503
3,6-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72916824
3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 97205146
diethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanedioate
CID 20924759
N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-4-phenylbenzenesulfonamide
CID 56549741
2-(dimethylamino)-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]pyridine-4-carboxamide
CID 95335960
N-[(4-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 116650493
N'-benzyl-N'-ethyl-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 20924698
1,5-dimethyl-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]pyrrole-2-carboxamide
CID 95334382
ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
CID 20924763
N-benzhydryl-3,5-dimethyl-1,2-oxazol-4-amine
CID 171986494
N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924757

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 99844681) is 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1nc([C@H](Nc2ncnc3onc(C)c23)c2ccccc2)n[nH]1.
What is the InChIKey of 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OLTNWRITLBBABN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15N7O/c1-9-12-14(17-8-18-16(12)24-23-9)20-13(11-6-4-3-5-7-11)15-19-10(2)21-22-15/h3-8,13H,1-2H3,(H,17,18,20)(H,19,21,22)/t13-/m1/s1.
What are the key properties of 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 321.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 99844681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).