2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine

C16H10Cl2F2N4 — CID 112906684

IUPAC2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ccnc(Nc3cc(Cl)ccc3Cl)n2)cc1F
InChIInChI=1S/C16H10Cl2F2N4/c17-9-1-3-11(18)14(7-9)23-16-21-6-5-15(24-16)22-10-2-4-12(19)13(20)8-10/h1-8H,(H2,21,22,23,24)
InChIKeyOHRQMMCGHBOVLY-UHFFFAOYSA-N
MW367.19 g/mol
LogP5.55
Rot. Bonds4

About 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine

2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112906684) has the molecular formula C16H10Cl2F2N4 and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
PubChem CID112906684
Molecular FormulaC16H10Cl2F2N4
Molecular Weight367.19 g/mol
Exact Mass366.03
IUPAC Name2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ccnc(Nc3cc(Cl)ccc3Cl)n2)cc1F
InChIInChI=1S/C16H10Cl2F2N4/c17-9-1-3-11(18)14(7-9)23-16-21-6-5-15(24-16)22-10-2-4-12(19)13(20)8-10/h1-8H,(H2,21,22,23,24)
InChIKeyOHRQMMCGHBOVLY-UHFFFAOYSA-N
XLogP5.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.19
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904152
4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112904331
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904250
4-[[4-(2,5-dichloroanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906674
2-N-(2-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 112904141
4-N-(4-tert-butylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112903406
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112904153
4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 112903567
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906494
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112904127

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine (CID 112906684) is 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2ccnc(Nc3cc(Cl)ccc3Cl)n2)cc1F.
What is the InChIKey of 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is OHRQMMCGHBOVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N4/c17-9-1-3-11(18)14(7-9)23-16-21-6-5-15(24-16)22-10-2-4-12(19)13(20)8-10/h1-8H,(H2,21,22,23,24).
What are the key properties of 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine?
2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 367.19 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112906684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).