2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine

C20H12Cl4F2N6 — CID 162195368

IUPAC2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine
SMILESFc1c(Cl)ncnc1Cl.Fc1cnc(Nc2cccc(Cl)c2)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C16H11Cl2FN4.C4HCl2FN2/c17-10-3-1-5-12(7-10)21-15-14(19)9-20-16(23-15)22-13-6-2-4-11(18)8-13;5-3-2(7)4(6)9-1-8-3/h1-9H,(H2,20,21,22,23);1H
InChIKeyZQWBOFAZNIQAGY-UHFFFAOYSA-N
MW516.17 g/mol
LogP7.33
Rot. Bonds4

About 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine

2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine (PubChem CID 162195368) has the molecular formula C20H12Cl4F2N6 and a molecular weight of 516.17 g/mol. Its IUPAC name is 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine
PubChem CID162195368
Molecular FormulaC20H12Cl4F2N6
Molecular Weight516.17 g/mol
Exact Mass513.98
IUPAC Name2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine
SMILESFc1c(Cl)ncnc1Cl.Fc1cnc(Nc2cccc(Cl)c2)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C16H11Cl2FN4.C4HCl2FN2/c17-10-3-1-5-12(7-10)21-15-14(19)9-20-16(23-15)22-13-6-2-4-11(18)8-13;5-3-2(7)4(6)9-1-8-3/h1-9H,(H2,20,21,22,23);1H
InChIKeyZQWBOFAZNIQAGY-UHFFFAOYSA-N
XLogP7.33
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.17
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
5-fluoro-2-N,4-N-bis[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
CID 86030537
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine
CID 126516203

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine (CID 162195368) is 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine is Fc1c(Cl)ncnc1Cl.Fc1cnc(Nc2cccc(Cl)c2)nc1Nc1cccc(Cl)c1.
What is the InChIKey of 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine?
The InChIKey is ZQWBOFAZNIQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4.C4HCl2FN2/c17-10-3-1-5-12(7-10)21-15-14(19)9-20-16(23-15)22-13-6-2-4-11(18)8-13;5-3-2(7)4(6)9-1-8-3/h1-9H,(H2,20,21,22,23);1H.
What are the key properties of 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine?
2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine has a molecular weight of 516.17 g/mol, XLogP of 7.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 162195368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).