N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C23H22N6 — CID 133466669

IUPACN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCc4nc5ccccc5n4C4CC4)n2)CCC3)nc1
InChIInChI=1S/C23H22N6/c1-2-10-20-18(7-1)26-21(29(20)15-11-12-15)14-25-22-16-6-5-9-17(16)27-23(28-22)19-8-3-4-13-24-19/h1-4,7-8,10,13,15H,5-6,9,11-12,14H2,(H,25,27,28)
InChIKeyDNAGNMZICATCDB-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.32
Rot. Bonds5

About N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133466669) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133466669
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCc4nc5ccccc5n4C4CC4)n2)CCC3)nc1
InChIInChI=1S/C23H22N6/c1-2-10-20-18(7-1)26-21(29(20)15-11-12-15)14-25-22-16-6-5-9-17(16)27-23(28-22)19-8-3-4-13-24-19/h1-4,7-8,10,13,15H,5-6,9,11-12,14H2,(H,25,27,28)
InChIKeyDNAGNMZICATCDB-UHFFFAOYSA-N
XLogP4.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133466669) is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1ccc(-c2nc3c(c(NCc4nc5ccccc5n4C4CC4)n2)CCC3)nc1.
What is the InChIKey of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is DNAGNMZICATCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-2-10-20-18(7-1)26-21(29(20)15-11-12-15)14-25-22-16-6-5-9-17(16)27-23(28-22)19-8-3-4-13-24-19/h1-4,7-8,10,13,15H,5-6,9,11-12,14H2,(H,25,27,28).
What are the key properties of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 382.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133466669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).