6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine

C15H18ClN3 — CID 80975059

IUPAC6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(-c2ccccc2Cl)c1C
InChIInChI=1S/C15H18ClN3/c1-4-13-18-14(10(3)15(19-13)17-5-2)11-8-6-7-9-12(11)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyWDHWASMXJNSULF-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.10
Rot. Bonds4

About 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine

6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 80975059) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID80975059
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(-c2ccccc2Cl)c1C
InChIInChI=1S/C15H18ClN3/c1-4-13-18-14(10(3)15(19-13)17-5-2)11-8-6-7-9-12(11)16/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyWDHWASMXJNSULF-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80970830
6-(2,3-difluoro-4-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 107514529
6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977454
2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 114747223
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80970250
N,2-diethyl-5-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80976457
6-(2,6-difluoro-3-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 82804428
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63485964
2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine
CID 104846876

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine (CID 80975059) is 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(-c2ccccc2Cl)c1C.
What is the InChIKey of 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is WDHWASMXJNSULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-4-13-18-14(10(3)15(19-13)17-5-2)11-8-6-7-9-12(11)16/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine?
6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80975059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).