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

C13H23N3 — CID 62747761

IUPAC2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nccc(CNC(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-10(2)8-12-14-7-6-11(16-12)9-15-13(3,4)5/h6-7,10,15H,8-9H2,1-5H3
InChIKeyMLKCCHFGLWCWPB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.56
Rot. Bonds4

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

2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 62747761) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID62747761
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nccc(CNC(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-10(2)8-12-14-7-6-11(16-12)9-15-13(3,4)5/h6-7,10,15H,8-9H2,1-5H3
InChIKeyMLKCCHFGLWCWPB-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 62747761) is 2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine is CC(C)Cc1nccc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is MLKCCHFGLWCWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)8-12-14-7-6-11(16-12)9-15-13(3,4)5/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.56, 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-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62747761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).