2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine

C12H20ClN3 — CID 80953907

IUPAC2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(C)c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C12H20ClN3/c1-6-7-16(5)10-8-9(13)14-11(15-10)12(2,3)4/h8H,6-7H2,1-5H3
InChIKeyZGFVCLZFVXPPQL-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.27
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine (PubChem CID 80953907) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
PubChem CID80953907
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(C)c1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C12H20ClN3/c1-6-7-16(5)10-8-9(13)14-11(15-10)12(2,3)4/h8H,6-7H2,1-5H3
InChIKeyZGFVCLZFVXPPQL-UHFFFAOYSA-N
XLogP3.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
CID 80953542
2-tert-butyl-6-chloro-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80951123
2-tert-butyl-6-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061412
2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953844
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butyl-6-chloro-N-methylpyrimidin-4-amine
CID 80953513
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80945315
2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylacetic acid
CID 42753820
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767255
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine (CID 80953907) is 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine is CCCN(C)c1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine?
The InChIKey is ZGFVCLZFVXPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-6-7-16(5)10-8-9(13)14-11(15-10)12(2,3)4/h8H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-methyl-N-propylpyrimidin-4-amine has a molecular weight of 241.77 g/mol, XLogP of 3.27, 3 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-propylpyrimidin-4-amine is sourced from PubChem (CID 80953907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).