2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C19H23N5O — CID 97131001

IUPAC2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc2c(NC[C@H]3CCN(Cc4ccccc4C)C3)ncnc2o1
InChIInChI=1S/C19H23N5O/c1-13-5-3-4-6-16(13)11-24-8-7-15(10-24)9-20-18-17-19(22-12-21-18)25-14(2)23-17/h3-6,12,15H,7-11H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyOBKVFRLKJYAZJS-OAHLLOKOSA-N
MW337.43 g/mol
LogP3.17
Rot. Bonds5

About 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 97131001) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID97131001
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc2c(NC[C@H]3CCN(Cc4ccccc4C)C3)ncnc2o1
InChIInChI=1S/C19H23N5O/c1-13-5-3-4-6-16(13)11-24-8-7-15(10-24)9-20-18-17-19(22-12-21-18)25-14(2)23-17/h3-6,12,15H,7-11H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyOBKVFRLKJYAZJS-OAHLLOKOSA-N
XLogP3.17
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 135114553
1,3,6-trimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95892087
1,3,6-trimethyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70767693
ethyl 6-methyl-4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20924937
2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95199376
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
2-methyl-N-(2-pyridin-2-ylethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 46994283
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 122568839
2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79749802
3-(2-methylbenzimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 131903613
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 97131001) is 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Cc1nc2c(NC[C@H]3CCN(Cc4ccccc4C)C3)ncnc2o1.
What is the InChIKey of 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is OBKVFRLKJYAZJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-5-3-4-6-16(13)11-24-8-7-15(10-24)9-20-18-17-19(22-12-21-18)25-14(2)23-17/h3-6,12,15H,7-11H2,1-2H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 337.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 97131001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).