4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine

C12H21N3 — CID 115774026

IUPAC4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine
SMILESCCCC(C)(C)Nc1nc(C)cc(C)n1
InChIInChI=1S/C12H21N3/c1-6-7-12(4,5)15-11-13-9(2)8-10(3)14-11/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyHJLMGRVVXVPHLK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.08
Rot. Bonds4

About 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine

4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine (PubChem CID 115774026) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine
PubChem CID115774026
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine
SMILESCCCC(C)(C)Nc1nc(C)cc(C)n1
InChIInChI=1S/C12H21N3/c1-6-7-12(4,5)15-11-13-9(2)8-10(3)14-11/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyHJLMGRVVXVPHLK-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
CID 6430811
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbutane-1,2-diamine
CID 64549694
N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 65028293
4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973000
2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide
CID 113471759
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 112634446
4-methyl-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 122059072
5,6-diethyl-N-(2-methylpentan-2-yl)-1,2,4-triazin-3-amine
CID 105362826
4-ethoxy-N-(1-methoxy-2-methylpropan-2-yl)-6-methylpyrimidin-2-amine
CID 113470425
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine (CID 115774026) is 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine is CCCC(C)(C)Nc1nc(C)cc(C)n1.
What is the InChIKey of 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine?
The InChIKey is HJLMGRVVXVPHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-7-12(4,5)15-11-13-9(2)8-10(3)14-11/h8H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine?
4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 115774026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).