6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine

C14H25N5 — CID 19135719

IUPAC6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
SMILESCC(C)Nc1ncnc(NC2CCCCCC2)c1N
InChIInChI=1S/C14H25N5/c1-10(2)18-13-12(15)14(17-9-16-13)19-11-7-5-3-4-6-8-11/h9-11H,3-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyYEGOCKHDQVKJEJ-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.01
Rot. Bonds4

About 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine

6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19135719) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
PubChem CID19135719
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
SMILESCC(C)Nc1ncnc(NC2CCCCCC2)c1N
InChIInChI=1S/C14H25N5/c1-10(2)18-13-12(15)14(17-9-16-13)19-11-7-5-3-4-6-8-11/h9-11H,3-8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyYEGOCKHDQVKJEJ-UHFFFAOYSA-N
XLogP3.01
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22540380
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141056
4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455194
6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19134968
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135849
4-N-cyclohexyl-6-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19135798
4-N-cycloheptyl-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149168
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
N-[4-[[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19153335
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135747
6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135778

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine (CID 19135719) is 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine is CC(C)Nc1ncnc(NC2CCCCCC2)c1N.
What is the InChIKey of 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is YEGOCKHDQVKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)18-13-12(15)14(17-9-16-13)19-11-7-5-3-4-6-8-11/h9-11H,3-8,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 263.39 g/mol, XLogP of 3.01, 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-propan-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).