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

C13H22N4 — CID 112867516

IUPAC4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(NC2CC2)n1
InChIInChI=1S/C13H22N4/c1-9(2)6-7-14-12-8-13(16-10(3)15-12)17-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyWQMXPOTUEOWBAN-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.82
Rot. Bonds6

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

4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 112867516) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID112867516
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(NC2CC2)n1
InChIInChI=1S/C13H22N4/c1-9(2)6-7-14-12-8-13(16-10(3)15-12)17-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyWQMXPOTUEOWBAN-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.82
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-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
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
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80837025
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 112867516) is 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is Cc1nc(NCCC(C)C)cc(NC2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is WQMXPOTUEOWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)6-7-14-12-8-13(16-10(3)15-12)17-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112867516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).