2-methyl-N-(2-methylbutyl)pyrimidin-4-amine

C10H17N3 — CID 62769511

IUPAC2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CNc1ccnc(C)n1
InChIInChI=1S/C10H17N3/c1-4-8(2)7-12-10-5-6-11-9(3)13-10/h5-6,8H,4,7H2,1-3H3,(H,11,12,13)
InChIKeyWVCOOJISZNZTQI-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine

2-methyl-N-(2-methylbutyl)pyrimidin-4-amine (PubChem CID 62769511) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
PubChem CID62769511
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CNc1ccnc(C)n1
InChIInChI=1S/C10H17N3/c1-4-8(2)7-12-10-5-6-11-9(3)13-10/h5-6,8H,4,7H2,1-3H3,(H,11,12,13)
InChIKeyWVCOOJISZNZTQI-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine
CID 66089481
3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604
2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 79033671
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
CID 106117297
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
2-hydroxy-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 106170693
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine (CID 62769511) is 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine is CCC(C)CNc1ccnc(C)n1.
What is the InChIKey of 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The InChIKey is WVCOOJISZNZTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-8(2)7-12-10-5-6-11-9(3)13-10/h5-6,8H,4,7H2,1-3H3,(H,11,12,13).
What are the key properties of 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
2-methyl-N-(2-methylbutyl)pyrimidin-4-amine has a molecular weight of 179.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 62769511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).