N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine

C12H21N3 — CID 63891334

IUPACN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C12H21N3/c1-5-13-7-10-8-14-11(15-9-10)6-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyUJKBTPFIZRBDNX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.17
Rot. Bonds4

About N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 63891334) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID63891334
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C12H21N3/c1-5-13-7-10-8-14-11(15-9-10)6-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyUJKBTPFIZRBDNX-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine (CID 63891334) is N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(CC(C)(C)C)nc1.
What is the InChIKey of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is UJKBTPFIZRBDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-13-7-10-8-14-11(15-9-10)6-12(2,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 63891334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).