4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80939490

IUPAC4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)C2CCCCC2)nc(CC)n1
InChIInChI=1S/C17H30N4/c1-4-12-18-16-13-17(20-15(5-2)19-16)21(6-3)14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyLFTDLYFCNPFQIO-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.02
Rot. Bonds7

About 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine

4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80939490) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80939490
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)C2CCCCC2)nc(CC)n1
InChIInChI=1S/C17H30N4/c1-4-12-18-16-13-17(20-15(5-2)19-16)21(6-3)14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyLFTDLYFCNPFQIO-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine 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

4-N-cyclohexyl-4-N,2-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934243
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80940294
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954276
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine (CID 80939490) is 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CC)C2CCCCC2)nc(CC)n1.
What is the InChIKey of 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LFTDLYFCNPFQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-12-18-16-13-17(20-15(5-2)19-16)21(6-3)14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80939490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).