4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine

C12H20N4 — CID 80827135

IUPAC4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NC2CCC2)n1
InChIInChI=1S/C12H20N4/c1-3-7-13-12-14-9(2)8-11(16-12)15-10-5-4-6-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyLUPWGBFOYSVWDI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.57
Rot. Bonds5

About 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80827135) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80827135
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NC2CCC2)n1
InChIInChI=1S/C12H20N4/c1-3-7-13-12-14-9(2)8-11(16-12)15-10-5-4-6-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyLUPWGBFOYSVWDI-UHFFFAOYSA-N
XLogP2.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371
4-N-(3,3-dimethylcyclopentyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114542196
4-N-(2-ethylcyclohexyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80803006
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
4-N-cyclopentyl-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112909634
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 142401938
6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814880
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907398

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80827135) is 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NC2CCC2)n1.
What is the InChIKey of 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is LUPWGBFOYSVWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-7-13-12-14-9(2)8-11(16-12)15-10-5-4-6-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80827135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).