2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

C14H16ClN3 — CID 63560185

IUPAC2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(-c2ccccc2Cl)nc(NC)c1C
InChIInChI=1S/C14H16ClN3/c1-4-12-9(2)13(16-3)18-14(17-12)10-7-5-6-8-11(10)15/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyMFQFDBQVBFUISR-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.71
Rot. Bonds3

About 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 63560185) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID63560185
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(-c2ccccc2Cl)nc(NC)c1C
InChIInChI=1S/C14H16ClN3/c1-4-12-9(2)13(16-3)18-14(17-12)10-7-5-6-8-11(10)15/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyMFQFDBQVBFUISR-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 55222206
2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63561539
6-ethyl-N,5-dimethyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 63561722
6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 63562088
[6-ethyl-2-(2-ethylphenyl)-5-methylpyrimidin-4-yl]hydrazine
CID 55221887
2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65022448
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
CID 63549132
6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
CID 71072779
2-(3,5-difluorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63562473
5-bromo-2-(2-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66301431

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (CID 63560185) is 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(-c2ccccc2Cl)nc(NC)c1C.
What is the InChIKey of 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is MFQFDBQVBFUISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-4-12-9(2)13(16-3)18-14(17-12)10-7-5-6-8-11(10)15/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63560185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).