6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine

C13H22ClN3 — CID 63728486

IUPAC6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)C(C)C(C)(C)C
InChIInChI=1S/C13H22ClN3/c1-7-10-11(14)15-8-16-12(10)17(6)9(2)13(3,4)5/h8-9H,7H2,1-6H3
InChIKeyYMSOJJUXUSFEIO-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.56
Rot. Bonds3

About 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine

6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 63728486) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID63728486
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)C(C)C(C)(C)C
InChIInChI=1S/C13H22ClN3/c1-7-10-11(14)15-8-16-12(10)17(6)9(2)13(3,4)5/h8-9H,7H2,1-6H3
InChIKeyYMSOJJUXUSFEIO-UHFFFAOYSA-N
XLogP3.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
CID 63728063
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
6-chloro-N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80972382
6-chloro-N-(1-cyclopropylethyl)-N-methyl-5-propylpyrimidin-4-amine
CID 55230256
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
N-butan-2-yl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 63729764
3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 102750806
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80809383
3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80510443
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine (CID 63728486) is 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(Cl)ncnc1N(C)C(C)C(C)(C)C.
What is the InChIKey of 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is YMSOJJUXUSFEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-7-10-11(14)15-8-16-12(10)17(6)9(2)13(3,4)5/h8-9H,7H2,1-6H3.
What are the key properties of 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine?
6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 255.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63728486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).