2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

C18H16Cl2N4 — CID 112917807

IUPAC2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2Cl)nc(Nc2ccccc2Cl)n1
InChIInChI=1S/C18H16Cl2N4/c1-12-10-17(21-11-13-6-2-3-7-14(13)19)24-18(22-12)23-16-9-5-4-8-15(16)20/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyNWOQETWBVXIDJW-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.45
Rot. Bonds5

About 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112917807) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112917807
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2Cl)nc(Nc2ccccc2Cl)n1
InChIInChI=1S/C18H16Cl2N4/c1-12-10-17(21-11-13-6-2-3-7-14(13)19)24-18(22-12)23-16-9-5-4-8-15(16)20/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyNWOQETWBVXIDJW-UHFFFAOYSA-N
XLogP5.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-chlorophenyl)-4-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918017
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112917792
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917319
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
4-N-[(2-chlorophenyl)methyl]-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907552
2-N-[(2-chlorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917471
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918282
2-N-(2-chlorophenyl)-4-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922623
methyl 4-[[4-[(2-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917833

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112917807) is 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2Cl)nc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is NWOQETWBVXIDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c1-12-10-17(21-11-13-6-2-3-7-14(13)19)24-18(22-12)23-16-9-5-4-8-15(16)20/h2-10H,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 359.26 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112917807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).