6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine

C11H9ClF2N4 — CID 78974714

IUPAC6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H9ClF2N4/c12-9-4-10(18-11(15)17-9)16-5-6-1-2-7(13)8(14)3-6/h1-4H,5H2,(H3,15,16,17,18)
InChIKeyFUQWUAFVQSUTTF-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.60
Rot. Bonds3

About 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 78974714) has the molecular formula C11H9ClF2N4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID78974714
Molecular FormulaC11H9ClF2N4
Molecular Weight270.67 g/mol
Exact Mass270.05
IUPAC Name6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H9ClF2N4/c12-9-4-10(18-11(15)17-9)16-5-6-1-2-7(13)8(14)3-6/h1-4H,5H2,(H3,15,16,17,18)
InChIKeyFUQWUAFVQSUTTF-UHFFFAOYSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-[(3,4-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564540
4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80804456
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
(1R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(3,4-difluorophenyl)ethanol
CID 36790047
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine (CID 78974714) is 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is FUQWUAFVQSUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4/c12-9-4-10(18-11(15)17-9)16-5-6-1-2-7(13)8(14)3-6/h1-4H,5H2,(H3,15,16,17,18).
What are the key properties of 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 270.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78974714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).