4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine

C14H24N4O — CID 79111824

IUPAC4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1cc(OC)ncn1)C1CCC(N)CC1
InChIInChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)13-9-14(19-2)17-10-16-13/h9-12H,3-8,15H2,1-2H3
InChIKeyQZBPHUZGPSTPSN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds5

About 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine

4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111824) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111824
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1cc(OC)ncn1)C1CCC(N)CC1
InChIInChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)13-9-14(19-2)17-10-16-13/h9-12H,3-8,15H2,1-2H3
InChIKeyQZBPHUZGPSTPSN-UHFFFAOYSA-N
XLogP1.97
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-6-methoxypyrimidine
CID 735731
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
1-Azepan-1-yl-3-[(6-methoxypyrimidin-4-yl)amino]propan-2-ol
CID 50980830
6-(3-methoxypropoxy)-N-propan-2-ylpyrimidin-4-amine
CID 172434840
6-(1-methylpiperidin-4-yl)oxy-N-propan-2-ylpyrimidin-4-amine
CID 172438673
6-methoxy-N-methylpyrimidin-4-amine
CID 16044348
N-Cyclohexyl-4-fluoro-6-methoxy-2-pyrimidinamine
CID 14717234
4-methoxy-N-(piperidin-4-yl)pyrimidin-2-amine
CID 43607806
6-ethoxy-N-(piperidin-4-yl)pyrimidin-4-amine
CID 66319018
1-Cyclohexyl-3-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)urea
CID 44069692

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine (CID 79111824) is 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine is CCCN(c1cc(OC)ncn1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is QZBPHUZGPSTPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)13-9-14(19-2)17-10-16-13/h9-12H,3-8,15H2,1-2H3.
What are the key properties of 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).