6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine

C13H12ClFN4 — CID 112854795

IUPAC6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NC3CC3)ncn2)cc1Cl
InChIInChI=1S/C13H12ClFN4/c14-10-5-9(3-4-11(10)15)19-13-6-12(16-7-17-13)18-8-1-2-8/h3-8H,1-2H2,(H2,16,17,18,19)
InChIKeyKFGZSQWDIGOASP-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.59
Rot. Bonds4

About 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine

6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine (PubChem CID 112854795) has the molecular formula C13H12ClFN4 and a molecular weight of 278.72 g/mol. Its IUPAC name is 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
PubChem CID112854795
Molecular FormulaC13H12ClFN4
Molecular Weight278.72 g/mol
Exact Mass278.07
IUPAC Name6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NC3CC3)ncn2)cc1Cl
InChIInChI=1S/C13H12ClFN4/c14-10-5-9(3-4-11(10)15)19-13-6-12(16-7-17-13)18-8-1-2-8/h3-8H,1-2H2,(H2,16,17,18,19)
InChIKeyKFGZSQWDIGOASP-UHFFFAOYSA-N
XLogP3.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 174482983
4-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexyl]morpholin-2-one
CID 70165183
4-[[6-(3,4-dichloroanilino)pyrimidin-4-yl]amino]cyclohexan-1-one
CID 70345082
methyl 2-[2-[[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexyl]sulfamoyl]ethylamino]acetate
CID 70209322
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
1-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865975
4-[[4-(3-chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]cyclohexane-1-carboxylic acid
CID 142637898
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112854840

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine (CID 112854795) is 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine is Fc1ccc(Nc2cc(NC3CC3)ncn2)cc1Cl.
What is the InChIKey of 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine?
The InChIKey is KFGZSQWDIGOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4/c14-10-5-9(3-4-11(10)15)19-13-6-12(16-7-17-13)18-8-1-2-8/h3-8H,1-2H2,(H2,16,17,18,19).
What are the key properties of 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine?
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine has a molecular weight of 278.72 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112854795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).