3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine

C12H21N3 — CID 63318758

IUPAC3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
SMILESCc1cc(C(C)(C)C)nc(CCCN)n1
InChIInChI=1S/C12H21N3/c1-9-8-10(12(2,3)4)15-11(14-9)6-5-7-13/h8H,5-7,13H2,1-4H3
InChIKeyKTCNFGDUCBTUCX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds3

About 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine

3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine (PubChem CID 63318758) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
PubChem CID63318758
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
SMILESCc1cc(C(C)(C)C)nc(CCCN)n1
InChIInChI=1S/C12H21N3/c1-9-8-10(12(2,3)4)15-11(14-9)6-5-7-13/h8H,5-7,13H2,1-4H3
InChIKeyKTCNFGDUCBTUCX-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-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

4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine
CID 116893078
N-[2-(4-tert-butyl-6-methylpyrimidin-2-yl)ethyl]cyclopropanamine
CID 96660657
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine
CID 82417070
2,4-ditert-butyl-6-methylpyrimidine
CID 22950955
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892881
3-(6-tert-butylpyrimidin-4-yl)propan-1-amine
CID 83847400
3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
CID 79869452
2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine
CID 63892597
4,6-ditert-butyl-2-methylpyrimidine;ethane
CID 144567554

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine?
The IUPAC name of 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine (CID 63318758) is 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine is Cc1cc(C(C)(C)C)nc(CCCN)n1.
What is the InChIKey of 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine?
The InChIKey is KTCNFGDUCBTUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-8-10(12(2,3)4)15-11(14-9)6-5-7-13/h8H,5-7,13H2,1-4H3.
What are the key properties of 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine?
3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 63318758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).