2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine

C12H21N3 — CID 79033671

IUPAC2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
SMILESCc1nccc(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-9(12(3,4)5)8-14-11-6-7-13-10(2)15-11/h6-7,9H,8H2,1-5H3,(H,13,14,15)
InChIKeyINTZAJXBAZDUNR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine

2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine (PubChem CID 79033671) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
PubChem CID79033671
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
SMILESCc1nccc(NCC(C)C(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-9(12(3,4)5)8-14-11-6-7-13-10(2)15-11/h6-7,9H,8H2,1-5H3,(H,13,14,15)
InChIKeyINTZAJXBAZDUNR-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 62769511
N-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine
CID 66089481
3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
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
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
CID 106117297
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 116797252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine (CID 79033671) is 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine is Cc1nccc(NCC(C)C(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The InChIKey is INTZAJXBAZDUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(12(3,4)5)8-14-11-6-7-13-10(2)15-11/h6-7,9H,8H2,1-5H3,(H,13,14,15).
What are the key properties of 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 79033671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).