2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C22H22N4O — CID 137100793

IUPAC2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)Cc1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2ccccc2)cc1
InChIInChI=1S/C22H22N4O/c1-13(2)12-14-8-10-16(11-9-14)19-17(15-6-4-3-5-7-15)18-20(24-19)25-22(23)26-21(18)27/h3-11,13H,12H2,1-2H3,(H4,23,24,25,26,27)
InChIKeyAGEZMOQTXXDZST-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.37
Rot. Bonds4

About 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137100793) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137100793
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)Cc1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2ccccc2)cc1
InChIInChI=1S/C22H22N4O/c1-13(2)12-14-8-10-16(11-9-14)19-17(15-6-4-3-5-7-15)18-20(24-19)25-22(23)26-21(18)27/h3-11,13H,12H2,1-2H3,(H4,23,24,25,26,27)
InChIKeyAGEZMOQTXXDZST-UHFFFAOYSA-N
XLogP4.37
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 18
CID 135524108
Pyrrolo-pyrimidone, 12
CID 135524115
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-Amino-6-(4-Bromophenyl)-5-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566679
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
N-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 145945998
Pyrrolo-pyrimidone, 13
CID 135524133
6-Benzoyl-2-pent-4-ynyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136053645

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137100793) is 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CC(C)Cc1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2-c2ccccc2)cc1.
What is the InChIKey of 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is AGEZMOQTXXDZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-13(2)12-14-8-10-16(11-9-14)19-17(15-6-4-3-5-7-15)18-20(24-19)25-22(23)26-21(18)27/h3-11,13H,12H2,1-2H3,(H4,23,24,25,26,27).
What are the key properties of 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 358.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137100793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).