N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C23H20N6 — CID 133315883

IUPACN-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccnc(-c2ccc(Nc3nc(-c4ccncc4)nc4c3CCC4)cc2)n1
InChIInChI=1S/C23H20N6/c1-15-9-14-25-21(26-15)16-5-7-18(8-6-16)27-23-19-3-2-4-20(19)28-22(29-23)17-10-12-24-13-11-17/h5-14H,2-4H2,1H3,(H,27,28,29)
InChIKeyQDVVFAHHPJUHPV-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.54
Rot. Bonds4

About N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133315883) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133315883
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC NameN-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccnc(-c2ccc(Nc3nc(-c4ccncc4)nc4c3CCC4)cc2)n1
InChIInChI=1S/C23H20N6/c1-15-9-14-25-21(26-15)16-5-7-18(8-6-16)27-23-19-3-2-4-20(19)28-22(29-23)17-10-12-24-13-11-17/h5-14H,2-4H2,1H3,(H,27,28,29)
InChIKeyQDVVFAHHPJUHPV-UHFFFAOYSA-N
XLogP4.54
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[4-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-pyrrolidin-1-ylethanone
CID 167937643
N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 166186696
N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 53192920
4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22695657
N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 22143475
N-(3-methylphenyl)-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 160594122
1-cyclopentyl-2-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethanol
CID 133306823
N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 95111490
N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316321
1-phenyl-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-2-ol
CID 133400226
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166278848
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133315883) is N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1ccnc(-c2ccc(Nc3nc(-c4ccncc4)nc4c3CCC4)cc2)n1.
What is the InChIKey of N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is QDVVFAHHPJUHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-15-9-14-25-21(26-15)16-5-7-18(8-6-16)27-23-19-3-2-4-20(19)28-22(29-23)17-10-12-24-13-11-17/h5-14H,2-4H2,1H3,(H,27,28,29).
What are the key properties of N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 380.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133315883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).