N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine

C11H19N3 — CID 103462611

IUPACN-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
SMILESCCC(C)(C)CNc1ccnc(C)n1
InChIInChI=1S/C11H19N3/c1-5-11(3,4)8-13-10-6-7-12-9(2)14-10/h6-7H,5,8H2,1-4H3,(H,12,13,14)
InChIKeyMMDDIVNMLIYKSF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.63
Rot. Bonds4

About N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine

N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine (PubChem CID 103462611) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
PubChem CID103462611
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
SMILESCCC(C)(C)CNc1ccnc(C)n1
InChIInChI=1S/C11H19N3/c1-5-11(3,4)8-13-10-6-7-12-9(2)14-10/h6-7H,5,8H2,1-4H3,(H,12,13,14)
InChIKeyMMDDIVNMLIYKSF-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-N-(2-methylpyrimidin-4-yl)butane-1,2-diamine
CID 115306100
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 62769511
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 79033671
(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 148752104
2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 79798017
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736691
2-methyl-N-phosphanylpyrimidin-4-amine
CID 59105384
2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine
CID 130668363

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine (CID 103462611) is N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine is CCC(C)(C)CNc1ccnc(C)n1.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine?
The InChIKey is MMDDIVNMLIYKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-11(3,4)8-13-10-6-7-12-9(2)14-10/h6-7H,5,8H2,1-4H3,(H,12,13,14).
What are the key properties of N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine?
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 103462611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).