N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine

C15H27N3 — CID 116896489

IUPACN,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine
SMILESCNCC(c1nc(C)cc(CC(C)C)n1)C(C)C
InChIInChI=1S/C15H27N3/c1-10(2)7-13-8-12(5)17-15(18-13)14(9-16-6)11(3)4/h8,10-11,14,16H,7,9H2,1-6H3
InChIKeyJTKKBPNQTLFRHF-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.94
Rot. Bonds6

About N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine

N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116896489) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine
PubChem CID116896489
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine
SMILESCNCC(c1nc(C)cc(CC(C)C)n1)C(C)C
InChIInChI=1S/C15H27N3/c1-10(2)7-13-8-12(5)17-15(18-13)14(9-16-6)11(3)4/h8,10-11,14,16H,7,9H2,1-6H3
InChIKeyJTKKBPNQTLFRHF-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967394
2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine
CID 116896588
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116896338
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669
3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine
CID 55162008
1-(2,6-dimethylpyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine
CID 63198425
1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
CID 116895408
N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 82082953
N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
CID 116964332
N-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)butan-1-amine
CID 116896592
N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine
CID 116883014

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine (CID 116896489) is N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine is CNCC(c1nc(C)cc(CC(C)C)n1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is JTKKBPNQTLFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-10(2)7-13-8-12(5)17-15(18-13)14(9-16-6)11(3)4/h8,10-11,14,16H,7,9H2,1-6H3.
What are the key properties of N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine?
N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116896489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).