4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C16H28N4 — CID 80761918

IUPAC4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)C2CCCCC2)c1C(C)C
InChIInChI=1S/C16H28N4/c1-5-17-15-14(12(2)3)16(19-11-18-15)20(4)13-9-7-6-8-10-13/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeySSYBXARREHIXOK-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.80
Rot. Bonds5

About 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80761918) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80761918
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)C2CCCCC2)c1C(C)C
InChIInChI=1S/C16H28N4/c1-5-17-15-14(12(2)3)16(19-11-18-15)20(4)13-9-7-6-8-10-13/h11-13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeySSYBXARREHIXOK-UHFFFAOYSA-N
XLogP3.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-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-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80780441
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80814287
4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80756958
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80787141
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80919618
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810135
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80761918) is 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)C2CCCCC2)c1C(C)C.
What is the InChIKey of 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is SSYBXARREHIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-17-15-14(12(2)3)16(19-11-18-15)20(4)13-9-7-6-8-10-13/h11-13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).