6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C13H22ClN3 — CID 80970249

IUPAC6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCC(C)(C)C
InChIInChI=1S/C13H22ClN3/c1-8(2)11-16-10(14)9(3)12(17-11)15-7-13(4,5)6/h8H,7H2,1-6H3,(H,15,16,17)
InChIKeyYYAXSELOHYDASY-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.02
Rot. Bonds3

About 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80970249) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80970249
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCC(C)(C)C
InChIInChI=1S/C13H22ClN3/c1-8(2)11-16-10(14)9(3)12(17-11)15-7-13(4,5)6/h8H,7H2,1-6H3,(H,15,16,17)
InChIKeyYYAXSELOHYDASY-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970400
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
6-chloro-N-(3-ethylsulfanylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114248421
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341647
6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80971108

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80970249) is 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCC(C)(C)C.
What is the InChIKey of 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YYAXSELOHYDASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-8(2)11-16-10(14)9(3)12(17-11)15-7-13(4,5)6/h8H,7H2,1-6H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 255.79 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80970249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).