6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine

C18H16Cl2N4 — CID 141013232

IUPAC6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1c(N)nc(Nc2ccccc2)nc1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2N4/c1-11-16(10-13-14(19)8-5-9-15(13)20)23-18(24-17(11)21)22-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H3,21,22,23,24)
InChIKeyQSCGWTLBYNTIRK-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.01
Rot. Bonds4

About 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine

6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 141013232) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID141013232
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1c(N)nc(Nc2ccccc2)nc1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H16Cl2N4/c1-11-16(10-13-14(19)8-5-9-15(13)20)23-18(24-17(11)21)22-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H3,21,22,23,24)
InChIKeyQSCGWTLBYNTIRK-UHFFFAOYSA-N
XLogP5.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N-phenyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4,6-triamine
CID 141033850
4-ethyl-6-hydrazinyl-5-methyl-N-phenylpyrimidin-2-amine
CID 94672741
5-N-methyl-2-N-phenylpyrimidine-2,4,5-triamine
CID 175235509
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
5-nitroso-2-N-phenylpyrimidine-2,4,6-triamine
CID 46705553
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one
CID 118289643
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine
CID 142666881
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
CID 86045532
4-chloro-3-methyl-2-N-phenylbenzene-1,2-diamine
CID 12930166

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 141013232) is 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine is Cc1c(N)nc(Nc2ccccc2)nc1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is QSCGWTLBYNTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c1-11-16(10-13-14(19)8-5-9-15(13)20)23-18(24-17(11)21)22-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H3,21,22,23,24).
What are the key properties of 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine?
6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 359.26 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichlorophenyl)methyl]-5-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 141013232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).