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

C21H23ClN4 — CID 112937029

IUPAC2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C21H23ClN4/c1-3-26(4-2)20-14-19(17-8-6-5-7-9-17)24-21(25-20)23-15-16-10-12-18(22)13-11-16/h5-14H,3-4,15H2,1-2H3,(H,23,24,25)
InChIKeyNKSKOPXDQPZKQO-UHFFFAOYSA-N
MW366.90 g/mol
LogP5.26
Rot. Bonds7

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

2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937029) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112937029
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C21H23ClN4/c1-3-26(4-2)20-14-19(17-8-6-5-7-9-17)24-21(25-20)23-15-16-10-12-18(22)13-11-16/h5-14H,3-4,15H2,1-2H3,(H,23,24,25)
InChIKeyNKSKOPXDQPZKQO-UHFFFAOYSA-N
XLogP5.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.90
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112936187
2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937667
2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937704
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937696
2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112918107
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
6-chloro-4-N,4-N-diethyl-2-N-[(2-methyl-3-phenylphenyl)methyl]pyrimidine-2,4-diamine
CID 155663871
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674
3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112947736
4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112937657

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine (CID 112937029) is 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine is CCN(CC)c1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is NKSKOPXDQPZKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c1-3-26(4-2)20-14-19(17-8-6-5-7-9-17)24-21(25-20)23-15-16-10-12-18(22)13-11-16/h5-14H,3-4,15H2,1-2H3,(H,23,24,25).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 366.90 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).