2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine

C19H32N4 — CID 168923800

IUPAC2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine
SMILESCC.CCc1cnc(C(C)(C)C)nc1.Cc1ccc(CN)cn1
InChIInChI=1S/C10H16N2.C7H10N2.C2H6/c1-5-8-6-11-9(12-7-8)10(2,3)4;1-6-2-3-7(4-8)5-9-6;1-2/h6-7H,5H2,1-4H3;2-3,5H,4,8H2,1H3;1-2H3
InChIKeyYRCJMQKAGAZWAS-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.21
Rot. Bonds2

About 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine

2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine (PubChem CID 168923800) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine
PubChem CID168923800
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine
SMILESCC.CCc1cnc(C(C)(C)C)nc1.Cc1ccc(CN)cn1
InChIInChI=1S/C10H16N2.C7H10N2.C2H6/c1-5-8-6-11-9(12-7-8)10(2,3)4;1-6-2-3-7(4-8)5-9-6;1-2/h6-7H,5H2,1-4H3;2-3,5H,4,8H2,1H3;1-2H3
InChIKeyYRCJMQKAGAZWAS-UHFFFAOYSA-N
XLogP4.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine 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

(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
ethane;5-(4-ethylphenyl)-2-methylpyridine
CID 143418091
dipropylphosphane;ethane;5-ethyl-2-methylpyridine
CID 143652926
2,5-dimethylpyrimidine;5-ethyl-2-methylpyridine
CID 142030159
5-ethyl-2-methylpyridine;nitric acid
CID 157098676
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
[6-(2-fluoropropan-2-yl)-3-pyridinyl]methanamine
CID 142385904
(2-tert-butylpyrimidin-5-yl)methanethiol
CID 155186184
azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
CID 169427277
1-(2-methylphenyl)-2-(6-methyl-3-pyridinyl)ethane-1,1-diamine
CID 174683796
5-ethyl-2-methylpyridine;propane-1-sulfonic acid
CID 174474831
N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
CID 62755323

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine (CID 168923800) is 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine is CC.CCc1cnc(C(C)(C)C)nc1.Cc1ccc(CN)cn1.
What is the InChIKey of 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine?
The InChIKey is YRCJMQKAGAZWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C7H10N2.C2H6/c1-5-8-6-11-9(12-7-8)10(2,3)4;1-6-2-3-7(4-8)5-9-6;1-2/h6-7H,5H2,1-4H3;2-3,5H,4,8H2,1H3;1-2H3.
What are the key properties of 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine?
2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine has a molecular weight of 316.49 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethylpyrimidine;ethane;(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 168923800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).