2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine

C15H26N4O — CID 82458480

IUPAC2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCCC2)nc(NCC(C)C)c1N
InChIInChI=1S/C15H26N4O/c1-10(2)9-17-14-12(16)15(20-3)19-13(18-14)11-7-5-4-6-8-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyQJFVWQLFZQIJBN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.18
Rot. Bonds5

About 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine

2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458480) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458480
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOc1nc(C2CCCCC2)nc(NCC(C)C)c1N
InChIInChI=1S/C15H26N4O/c1-10(2)9-17-14-12(16)15(20-3)19-13(18-14)11-7-5-4-6-8-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyQJFVWQLFZQIJBN-UHFFFAOYSA-N
XLogP3.18
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-6-methoxy-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458482
2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
CID 82458510
2-cyclohexyl-4-N-[2-(dimethylamino)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82458475
4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
CID 82456171
4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
CID 82458490
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456242
2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
CID 82458504
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine
CID 82456191
2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456285
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458480) is 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine is COc1nc(C2CCCCC2)nc(NCC(C)C)c1N.
What is the InChIKey of 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is QJFVWQLFZQIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)9-17-14-12(16)15(20-3)19-13(18-14)11-7-5-4-6-8-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine?
2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-methoxy-4-N-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).