4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine

C19H20ClN5 — CID 112929719

IUPAC4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C19H20ClN5/c1-13-11-18(22-16-6-4-5-14(20)12-16)24-19(21-13)23-15-7-9-17(10-8-15)25(2)3/h4-12H,1-3H3,(H2,21,22,23,24)
InChIKeyOBGUOYHTMQMXJR-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.99
Rot. Bonds5

About 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine

4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112929719) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112929719
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C19H20ClN5/c1-13-11-18(22-16-6-4-5-14(20)12-16)24-19(21-13)23-15-7-9-17(10-8-15)25(2)3/h4-12H,1-3H3,(H2,21,22,23,24)
InChIKeyOBGUOYHTMQMXJR-UHFFFAOYSA-N
XLogP4.99
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
4-N-(4-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929746
4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 112877996
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112930165
2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931305
4-N-(3-chlorophenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929721
N-[3-[[4-(3-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929714
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929774
4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
N-[3-[[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929812

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine (CID 112929719) is 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Cl)c2)nc(Nc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is OBGUOYHTMQMXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-11-18(22-16-6-4-5-14(20)12-16)24-19(21-13)23-15-7-9-17(10-8-15)25(2)3/h4-12H,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 353.86 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112929719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).