6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine

C13H22ClN3 — CID 80970520

IUPAC6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine
SMILESCCN(c1nc(C(C)C)nc(Cl)c1C)C(C)C
InChIInChI=1S/C13H22ClN3/c1-7-17(9(4)5)13-10(6)11(14)15-12(16-13)8(2)3/h8-9H,7H2,1-6H3
InChIKeyHJHYXULPIZELLX-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.80
Rot. Bonds4

About 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine

6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine (PubChem CID 80970520) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine
PubChem CID80970520
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine
SMILESCCN(c1nc(C(C)C)nc(Cl)c1C)C(C)C
InChIInChI=1S/C13H22ClN3/c1-7-17(9(4)5)13-10(6)11(14)15-12(16-13)8(2)3/h8-9H,7H2,1-6H3
InChIKeyHJHYXULPIZELLX-UHFFFAOYSA-N
XLogP3.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972375
4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605
6-chloro-N-ethyl-5-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80971509
3-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-ethylamino]propanenitrile
CID 80971702
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80974281
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80971700
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80980373
6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80970738
4-N-(cyclopropylmethyl)-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80982410
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296
4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine (CID 80970520) is 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine is CCN(c1nc(C(C)C)nc(Cl)c1C)C(C)C.
What is the InChIKey of 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine?
The InChIKey is HJHYXULPIZELLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-7-17(9(4)5)13-10(6)11(14)15-12(16-13)8(2)3/h8-9H,7H2,1-6H3.
What are the key properties of 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine?
6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine has a molecular weight of 255.79 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80970520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).