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

C19H19ClN4 — CID 112859900

IUPAC6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCc2ccccc2Cl)ncn1
InChIInChI=1S/C19H19ClN4/c1-2-24(16-9-4-3-5-10-16)19-12-18(22-14-23-19)21-13-15-8-6-7-11-17(15)20/h3-12,14H,2,13H2,1H3,(H,21,22,23)
InChIKeyYELRIEJGEVFRHR-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.90
Rot. Bonds6

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

6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112859900) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112859900
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCc2ccccc2Cl)ncn1
InChIInChI=1S/C19H19ClN4/c1-2-24(16-9-4-3-5-10-16)19-12-18(22-14-23-19)21-13-15-8-6-7-11-17(15)20/h3-12,14H,2,13H2,1H3,(H,21,22,23)
InChIKeyYELRIEJGEVFRHR-UHFFFAOYSA-N
XLogP4.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
4-N-[(2-chlorophenyl)methyl]-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112859886
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112865483
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109170820
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112872603
4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80817660

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine (CID 112859900) is 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(NCc2ccccc2Cl)ncn1.
What is the InChIKey of 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is YELRIEJGEVFRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-2-24(16-9-4-3-5-10-16)19-12-18(22-14-23-19)21-13-15-8-6-7-11-17(15)20/h3-12,14H,2,13H2,1H3,(H,21,22,23).
What are the key properties of 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112859900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).