2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine

C14H24ClN3 — CID 80953844

IUPAC2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
SMILESCCCC(C)N(C)c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24ClN3/c1-7-8-10(2)18(6)12-9-11(15)16-13(17-12)14(3,4)5/h9-10H,7-8H2,1-6H3
InChIKeyOGBLHSZCWRJSGX-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.05
Rot. Bonds4

About 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine (PubChem CID 80953844) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
PubChem CID80953844
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
SMILESCCCC(C)N(C)c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24ClN3/c1-7-8-10(2)18(6)12-9-11(15)16-13(17-12)14(3,4)5/h9-10H,7-8H2,1-6H3
InChIKeyOGBLHSZCWRJSGX-UHFFFAOYSA-N
XLogP4.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
CID 80953907
6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953921
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768420
2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
CID 80953542
6-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 63588405
2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061412
2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80945315
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046
2-tert-butyl-6-chloro-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80951123
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80961967
2-tert-butyl-4-chloro-6-ethylsulfanylpyrimidine
CID 80951251
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butyl-6-chloro-N-methylpyrimidin-4-amine
CID 80953513

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine (CID 80953844) is 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine is CCCC(C)N(C)c1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine?
The InChIKey is OGBLHSZCWRJSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-7-8-10(2)18(6)12-9-11(15)16-13(17-12)14(3,4)5/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine has a molecular weight of 269.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).