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

C12H12ClN3 — CID 13353539

IUPAC4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C12H12ClN3/c1-9-8-11(13)15-12(14-9)16(2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyVSLQXADGAKIBPO-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.21
Rot. Bonds2

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

4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine (PubChem CID 13353539) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine
PubChem CID13353539
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C12H12ClN3/c1-9-8-11(13)15-12(14-9)16(2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyVSLQXADGAKIBPO-UHFFFAOYSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethanil
CID 91650
Mepanipyrim
CID 86296
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
(3-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide
CID 951413
1-(4-Chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
CID 2306588
N4-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2730123
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
GUANIDINE, 1-(p-CHLOROPHENYL)-3-(4,6-DIMETHYL-2-PYRIMIDINYL)-
CID 5726586
N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 735909
2,4-Dichloro-6-phenylpyrimidine
CID 241554

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine (CID 13353539) is 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine is Cc1cc(Cl)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine?
The InChIKey is VSLQXADGAKIBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9-8-11(13)15-12(14-9)16(2)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine?
4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,6-dimethyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 13353539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).