4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80940937

IUPAC4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCC(C)(C)CC2)nc(CC)n1
InChIInChI=1S/C17H30N4/c1-5-11-18-15-12-16(21-14(6-2)20-15)19-13-7-9-17(3,4)10-8-13/h12-13H,5-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyJIUKASVOZCTFQD-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.24
Rot. Bonds6

About 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80940937) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80940937
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2CCC(C)(C)CC2)nc(CC)n1
InChIInChI=1S/C17H30N4/c1-5-11-18-15-12-16(21-14(6-2)20-15)19-13-7-9-17(3,4)10-8-13/h12-13H,5-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyJIUKASVOZCTFQD-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 114542211
4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80837025
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-(3,3-dimethylcyclopentyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114542094
4-N-(2,2-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80938291
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946562
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80938259
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 80940937) is 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2CCC(C)(C)CC2)nc(CC)n1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JIUKASVOZCTFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-11-18-15-12-16(21-14(6-2)20-15)19-13-7-9-17(3,4)10-8-13/h12-13H,5-11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).