6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine

C16H27N5 — CID 19153951

IUPAC6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
SMILESNc1c(NC2CCCCCC2)ncnc1NC1CCCC1
InChIInChI=1S/C16H27N5/c17-14-15(20-12-7-3-1-2-4-8-12)18-11-19-16(14)21-13-9-5-6-10-13/h11-13H,1-10,17H2,(H2,18,19,20,21)
InChIKeyRLEZZBWBTTZRMU-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.55
Rot. Bonds4

About 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine

6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine (PubChem CID 19153951) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
PubChem CID19153951
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
SMILESNc1c(NC2CCCCCC2)ncnc1NC1CCCC1
InChIInChI=1S/C16H27N5/c17-14-15(20-12-7-3-1-2-4-8-12)18-11-19-16(14)21-13-9-5-6-10-13/h11-13H,1-10,17H2,(H2,18,19,20,21)
InChIKeyRLEZZBWBTTZRMU-UHFFFAOYSA-N
XLogP3.55
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22540380
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135747
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135849
4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137769
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141056
6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19147282
6-N-(5-bromo-2-pyridinyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135818
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
4-N-cyclohexyl-6-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19135798
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine (CID 19153951) is 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine is Nc1c(NC2CCCCCC2)ncnc1NC1CCCC1.
What is the InChIKey of 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine?
The InChIKey is RLEZZBWBTTZRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c17-14-15(20-12-7-3-1-2-4-8-12)18-11-19-16(14)21-13-9-5-6-10-13/h11-13H,1-10,17H2,(H2,18,19,20,21).
What are the key properties of 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine?
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine has a molecular weight of 289.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19153951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).