N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C22H26N6 — CID 131950748

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCc4nncn4C4CCCCC4)n2)CCC3)cc1
InChIInChI=1S/C22H26N6/c1-3-8-16(9-4-1)21-25-19-13-7-12-18(19)22(26-21)23-14-20-27-24-15-28(20)17-10-5-2-6-11-17/h1,3-4,8-9,15,17H,2,5-7,10-14H2,(H,23,25,26)
InChIKeyTWSWKMCNNRNILW-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.34
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 131950748) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID131950748
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCc4nncn4C4CCCCC4)n2)CCC3)cc1
InChIInChI=1S/C22H26N6/c1-3-8-16(9-4-1)21-25-19-13-7-12-18(19)22(26-21)23-14-20-27-24-15-28(20)17-10-5-2-6-11-17/h1,3-4,8-9,15,17H,2,5-7,10-14H2,(H,23,25,26)
InChIKeyTWSWKMCNNRNILW-UHFFFAOYSA-N
XLogP4.34
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 131950748) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1ccc(-c2nc3c(c(NCc4nncn4C4CCCCC4)n2)CCC3)cc1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is TWSWKMCNNRNILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-3-8-16(9-4-1)21-25-19-13-7-12-18(19)22(26-21)23-14-20-27-24-15-28(20)17-10-5-2-6-11-17/h1,3-4,8-9,15,17H,2,5-7,10-14H2,(H,23,25,26).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 131950748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).