N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine

C18H16IN3 — CID 165179719

IUPACN-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(c2ccccc2)c2ccccc2I)n1
InChIInChI=1S/C18H16IN3/c1-13-12-14(2)21-18(20-13)22(15-8-4-3-5-9-15)17-11-7-6-10-16(17)19/h3-12H,1-2H3
InChIKeyVSNLWSSJYLIFPM-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.17
Rot. Bonds3

About N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine

N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine (PubChem CID 165179719) has the molecular formula C18H16IN3 and a molecular weight of 401.25 g/mol. Its IUPAC name is N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine
PubChem CID165179719
Molecular FormulaC18H16IN3
Molecular Weight401.25 g/mol
Exact Mass401.04
IUPAC NameN-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(c2ccccc2)c2ccccc2I)n1
InChIInChI=1S/C18H16IN3/c1-13-12-14(2)21-18(20-13)22(15-8-4-3-5-9-15)17-11-7-6-10-16(17)19/h3-12H,1-2H3
InChIKeyVSNLWSSJYLIFPM-UHFFFAOYSA-N
XLogP5.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-(4-methylphenyl)-N-phenylaniline
CID 139772467
2,3-diiodo-N,N-diphenylaniline
CID 66868227
N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine
CID 157167621
N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91736105
1-(4,6-dimethylpyrimidin-2-yl)-3-methylsulfonyl-1-phenylurea
CID 21285450
2-(2-iodophenoxy)-4,6-dimethylpyrimidine
CID 61400111
5-N-[3,7-dimethyl-5-(N-phenylanilino)naphthalen-1-yl]-3,7-dimethyl-1-N,1-N,5-N-triphenylnaphthalene-1,5-diamine
CID 20754054
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
1-N-(2-chloro-6-methyl-4-pyridinyl)-3-N-iodo-1-N,3-N-diphenylbenzene-1,3-diamine
CID 170123541
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine?
The IUPAC name of N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine (CID 165179719) is N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine is Cc1cc(C)nc(N(c2ccccc2)c2ccccc2I)n1.
What is the InChIKey of N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine?
The InChIKey is VSNLWSSJYLIFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3/c1-13-12-14(2)21-18(20-13)22(15-8-4-3-5-9-15)17-11-7-6-10-16(17)19/h3-12H,1-2H3.
What are the key properties of N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine?
N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine has a molecular weight of 401.25 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 165179719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).