4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C23H24N4O2 — CID 91355220

IUPAC4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCOc1ccc(C(Nc2ncnc3c2CN(C(C)C)C3=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N4O2/c1-15(2)27-13-19-21(23(27)28)24-14-25-22(19)26-20(16-7-5-4-6-8-16)17-9-11-18(29-3)12-10-17/h4-12,14-15,20H,13H2,1-3H3,(H,24,25,26)
InChIKeyHJEUUGHHPNHKNF-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.05
Rot. Bonds6

About 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 91355220) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID91355220
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCOc1ccc(C(Nc2ncnc3c2CN(C(C)C)C3=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N4O2/c1-15(2)27-13-19-21(23(27)28)24-14-25-22(19)26-20(16-7-5-4-6-8-16)17-9-11-18(29-3)12-10-17/h4-12,14-15,20H,13H2,1-3H3,(H,24,25,26)
InChIKeyHJEUUGHHPNHKNF-UHFFFAOYSA-N
XLogP4.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzhydrylamino)-2-(2-methoxyethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57480939
4-(benzhydrylamino)-2-(benzylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431800
4-[[(4-chlorophenyl)-phenylmethyl]amino]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431771
4-N-benzhydryl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19138956
4-N-benzhydryl-6-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22533392
2-[(4-methoxyphenyl)methyl]-4-(1-phenylethylamino)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176581
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[1-(4-propan-2-yloxyphenyl)ethylamino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57480956
1-[4-[7-hydroxy-4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-ylpyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90994264
4-N-benzhydryl-6-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494974
2-ethyl-4-[[(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176891
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine
CID 115972576

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 91355220) is 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is COc1ccc(C(Nc2ncnc3c2CN(C(C)C)C3=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is HJEUUGHHPNHKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)27-13-19-21(23(27)28)24-14-25-22(19)26-20(16-7-5-4-6-8-16)17-9-11-18(29-3)12-10-17/h4-12,14-15,20H,13H2,1-3H3,(H,24,25,26).
What are the key properties of 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 388.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 91355220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).