2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine

C12H21N3 — CID 78966606

IUPAC2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
SMILESCC(CNCc1cncnc1)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-10(12(2,3)4)5-13-6-11-7-14-9-15-8-11/h7-10,13H,5-6H2,1-4H3
InChIKeyDTGDHTXBQBKGLC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds4

About 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine

2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine (PubChem CID 78966606) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
PubChem CID78966606
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
SMILESCC(CNCc1cncnc1)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-10(12(2,3)4)5-13-6-11-7-14-9-15-8-11/h7-10,13H,5-6H2,1-4H3
InChIKeyDTGDHTXBQBKGLC-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 63982340
2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623487
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623508
N-[[4-(2-aminoethyl)phenyl]methyl]-2,3,3-trimethylbutan-1-amine
CID 83143292
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 78966816
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
2-tert-butylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 115614461
3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
CID 103708150
2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 79551978

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine (CID 78966606) is 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine is CC(CNCc1cncnc1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The InChIKey is DTGDHTXBQBKGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(12(2,3)4)5-13-6-11-7-14-9-15-8-11/h7-10,13H,5-6H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 78966606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).