1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C27H31N5O4 — CID 51699860

IUPAC1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3-c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C27H31N5O4/c1-18-8-5-6-10-22(18)32-27-21(14-30-32)26(28-17-29-27)31(16-20-9-7-11-36-20)15-19-12-23(33-2)25(35-4)24(13-19)34-3/h5-6,8,10,12-14,17,20H,7,9,11,15-16H2,1-4H3/t20-/m1/s1
InChIKeyVJBNSNHQGAYNOX-HXUWFJFHSA-N
MW489.58 g/mol
LogP4.34
Rot. Bonds9

About 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 51699860) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID51699860
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3-c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C27H31N5O4/c1-18-8-5-6-10-22(18)32-27-21(14-30-32)26(28-17-29-27)31(16-20-9-7-11-36-20)15-19-12-23(33-2)25(35-4)24(13-19)34-3/h5-6,8,10,12-14,17,20H,7,9,11,15-16H2,1-4H3/t20-/m1/s1
InChIKeyVJBNSNHQGAYNOX-HXUWFJFHSA-N
XLogP4.34
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126769853
N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017316
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 43818512
3-(2-ethoxyphenyl)-1-(oxolan-2-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 4053042
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55707119
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806148
N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818389
N-[(2,3-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818394
N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46954450
2-(4-bromophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 40851324
5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42280222
1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126783872

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 51699860) is 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is COc1cc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3-c2ccccc2C)cc(OC)c1OC.
What is the InChIKey of 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VJBNSNHQGAYNOX-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-18-8-5-6-10-22(18)32-27-21(14-30-32)26(28-17-29-27)31(16-20-9-7-11-36-20)15-19-12-23(33-2)25(35-4)24(13-19)34-3/h5-6,8,10,12-14,17,20H,7,9,11,15-16H2,1-4H3/t20-/m1/s1.
What are the key properties of 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 489.58 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 51699860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).