4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

C16H28N4 — CID 112869040

IUPAC4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(NC2CCCCC2)n1
InChIInChI=1S/C16H28N4/c1-12(2)9-10-17-15-11-16(19-13(3)18-15)20-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyNITNTQCOANNDHE-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.99
Rot. Bonds6

About 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 112869040) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID112869040
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(NC2CCCCC2)n1
InChIInChI=1S/C16H28N4/c1-12(2)9-10-17-15-11-16(19-13(3)18-15)20-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyNITNTQCOANNDHE-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 112869040) is 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is Cc1nc(NCCC(C)C)cc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is NITNTQCOANNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)9-10-17-15-11-16(19-13(3)18-15)20-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112869040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).