4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine

C15H26N4O — CID 115975442

IUPAC4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1nccc(OCC)n1)C1CCC(N)CC1
InChIInChI=1S/C15H26N4O/c1-3-11-19(13-7-5-12(16)6-8-13)15-17-10-9-14(18-15)20-4-2/h9-10,12-13H,3-8,11,16H2,1-2H3
InChIKeyNFLACQZHXZBVKA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds6

About 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine

4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 115975442) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID115975442
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1nccc(OCC)n1)C1CCC(N)CC1
InChIInChI=1S/C15H26N4O/c1-3-11-19(13-7-5-12(16)6-8-13)15-17-10-9-14(18-15)20-4-2/h9-10,12-13H,3-8,11,16H2,1-2H3
InChIKeyNFLACQZHXZBVKA-UHFFFAOYSA-N
XLogP2.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639469
2-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 116796417
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 115975439
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117889
4-(aminomethyl)-N-cyclopropyl-N-propylpyrimidin-2-amine
CID 107541562
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
CID 112635990
4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112114
4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117886
4-N-(6-methylpyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79111539
4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112187

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine (CID 115975442) is 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine is CCCN(c1nccc(OCC)n1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is NFLACQZHXZBVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-11-19(13-7-5-12(16)6-8-13)15-17-10-9-14(18-15)20-4-2/h9-10,12-13H,3-8,11,16H2,1-2H3.
What are the key properties of 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 115975442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).