3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C18H18N6O — CID 97205146

IUPAC3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](c2ccccc2)c2nccn2C)c2c(C)noc2n1
InChIInChI=1S/C18H18N6O/c1-11-14-16(20-12(2)21-18(14)25-23-11)22-15(13-7-5-4-6-8-13)17-19-9-10-24(17)3/h4-10,15H,1-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyINAIVRBQFGNGCZ-OAHLLOKOSA-N
MW334.38 g/mol
LogP3.17
Rot. Bonds4

About 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 97205146) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID97205146
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](c2ccccc2)c2nccn2C)c2c(C)noc2n1
InChIInChI=1S/C18H18N6O/c1-11-14-16(20-12(2)21-18(14)25-23-11)22-15(13-7-5-4-6-8-13)17-19-9-10-24(17)3/h4-10,15H,1-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyINAIVRBQFGNGCZ-OAHLLOKOSA-N
XLogP3.17
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3,6-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72916824
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
CID 24541703
3,5-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,2-oxazole-4-carboxamide
CID 75459863
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
3,5-difluoro-4-[[(S)-(1-methylimidazol-2-yl)-phenylmethyl]amino]benzonitrile
CID 94816378
3,5-difluoro-4-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]benzonitrile
CID 51101929
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
CID 40789664
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
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808136
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 97205146) is 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1nc(N[C@H](c2ccccc2)c2nccn2C)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is INAIVRBQFGNGCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-14-16(20-12(2)21-18(14)25-23-11)22-15(13-7-5-4-6-8-13)17-19-9-10-24(17)3/h4-10,15H,1-3H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 97205146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).