2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine

C14H25N3 — CID 55114345

IUPAC2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)CCc1nccc(CNC(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-11(2)6-7-13-15-9-8-12(17-13)10-16-14(3,4)5/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyGSVSUROGNDLVGW-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 55114345) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID55114345
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)CCc1nccc(CNC(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-11(2)6-7-13-15-9-8-12(17-13)10-16-14(3,4)5/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyGSVSUROGNDLVGW-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62747761
1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
CID 62745394
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62747758
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 62797614
N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 64561231
2-(3-methylhexyl)-4-propylpyrimidine
CID 142121373
2-methyl-4-(3-methylbutyl)pyrimidine
CID 143330492
6-[(tert-butylamino)methyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 62278708
N-[[2-(3,3-dimethylbutyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 114212057
4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine
CID 158767340
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109067
2-[2-(3-methylbutyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56874192

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 55114345) is 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine is CC(C)CCc1nccc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is GSVSUROGNDLVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)6-7-13-15-9-8-12(17-13)10-16-14(3,4)5/h8-9,11,16H,6-7,10H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.95, 5 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-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55114345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).