6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine

C21H18ClN5O — CID 112881275

IUPAC6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(NCc3ccccc3Cl)nc(-c3ccccc3)n2)no1
InChIInChI=1S/C21H18ClN5O/c1-14-11-20(27-28-14)24-19-12-18(23-13-16-9-5-6-10-17(16)22)25-21(26-19)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,23,24,25,26,27)
InChIKeyOKBQAWMEMGNLQN-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.45
Rot. Bonds6

About 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine

6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112881275) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112881275
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(NCc3ccccc3Cl)nc(-c3ccccc3)n2)no1
InChIInChI=1S/C21H18ClN5O/c1-14-11-20(27-28-14)24-19-12-18(23-13-16-9-5-6-10-17(16)22)25-21(26-19)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,23,24,25,26,27)
InChIKeyOKBQAWMEMGNLQN-UHFFFAOYSA-N
XLogP5.45
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(2-methoxyphenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881284
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871780
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570
6-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881709
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936923
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880933
N,N-diethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854269
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112872618
6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453
[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852983

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine (CID 112881275) is 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine is Cc1cc(Nc2cc(NCc3ccccc3Cl)nc(-c3ccccc3)n2)no1.
What is the InChIKey of 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is OKBQAWMEMGNLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-14-11-20(27-28-14)24-19-12-18(23-13-16-9-5-6-10-17(16)22)25-21(26-19)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine?
6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 391.86 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112881275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).