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

C19H19ClN4 — CID 112915465

IUPAC4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2)nc(NCc2ccccc2Cl)n1
InChIInChI=1S/C19H19ClN4/c1-14-11-18(21-12-15-7-3-2-4-8-15)24-19(23-14)22-13-16-9-5-6-10-17(16)20/h2-11H,12-13H2,1H3,(H2,21,22,23,24)
InChIKeyQHFDUHQFUNMTQR-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.66
Rot. Bonds6

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

4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112915465) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112915465
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2)nc(NCc2ccccc2Cl)n1
InChIInChI=1S/C19H19ClN4/c1-14-11-18(21-12-15-7-3-2-4-8-15)24-19(23-14)22-13-16-9-5-6-10-17(16)20/h2-11H,12-13H2,1H3,(H2,21,22,23,24)
InChIKeyQHFDUHQFUNMTQR-UHFFFAOYSA-N
XLogP4.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917471
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917787
2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
4-N-[(2-chlorophenyl)methyl]-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907552
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112917792
4-N-benzyl-2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112915519
6-methyl-4-N-[(2-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915782
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917867

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112915465) is 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2)nc(NCc2ccccc2Cl)n1.
What is the InChIKey of 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is QHFDUHQFUNMTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-14-11-18(21-12-15-7-3-2-4-8-15)24-19(23-14)22-13-16-9-5-6-10-17(16)20/h2-11H,12-13H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).