6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine

C14H16ClN3 — CID 63734032

IUPAC6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1nc(C)nc(Cl)c1C
InChIInChI=1S/C14H16ClN3/c1-4-18(12-8-6-5-7-9-12)14-10(2)13(15)16-11(3)17-14/h5-9H,4H2,1-3H3
InChIKeyHYRZPNKFBGLFTC-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.90
Rot. Bonds3

About 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine

6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine (PubChem CID 63734032) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine
PubChem CID63734032
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1nc(C)nc(Cl)c1C
InChIInChI=1S/C14H16ClN3/c1-4-18(12-8-6-5-7-9-12)14-10(2)13(15)16-11(3)17-14/h5-9H,4H2,1-3H3
InChIKeyHYRZPNKFBGLFTC-UHFFFAOYSA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-ethyl-4,5-dimethyl-N-phenylpyridazin-3-amine
CID 63271493
6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80973600
3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 63445549
3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
CID 102985234
3-(N-ethylanilino)-6-methylpyrazine-2-carbaldehyde
CID 174436324
3-(N-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)anilino)propanenitrile
CID 80725914
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
5-chloro-4-N-ethyl-4-N-phenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 57215740
3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483
3-(N-ethylanilino)pyrazine-2-carboxylic acid
CID 62710006
6-chloro-N-cyclopentyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 55229296
6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 63728003

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine (CID 63734032) is 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine is CCN(c1ccccc1)c1nc(C)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine?
The InChIKey is HYRZPNKFBGLFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-4-18(12-8-6-5-7-9-12)14-10(2)13(15)16-11(3)17-14/h5-9H,4H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine?
6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2,5-dimethyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 63734032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).