4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

C16H19ClFN5O — CID 112857652

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1Cl
InChIInChI=1S/C16H19ClFN5O/c17-13-9-12(1-2-14(13)18)22-16-10-15(20-11-21-16)19-3-4-23-5-7-24-8-6-23/h1-2,9-11H,3-8H2,(H2,19,20,21,22)
InChIKeyXPQCUCFOGIRFCY-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.76
Rot. Bonds6

About 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 112857652) has the molecular formula C16H19ClFN5O and a molecular weight of 351.81 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID112857652
Molecular FormulaC16H19ClFN5O
Molecular Weight351.81 g/mol
Exact Mass351.13
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1Cl
InChIInChI=1S/C16H19ClFN5O/c17-13-9-12(1-2-14(13)18)22-16-10-15(20-11-21-16)19-3-4-23-5-7-24-8-6-23/h1-2,9-11H,3-8H2,(H2,19,20,21,22)
InChIKeyXPQCUCFOGIRFCY-UHFFFAOYSA-N
XLogP2.76
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bisanilinopyrimidine, 9h
CID 70702155
Bisanilinopyrimidine, 9j
CID 70702157
Bisanilinopyrimidine, 9k
CID 70702158
1-(3-Chloro-4-fluorophenyl)-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70674635
1-(3-Chloro-4-fluorophenyl)-3-[3-[methyl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70675106
N-(3-chloro-4-methylphenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921268
N-(4-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 697260
2-(2-hydroxyethylamino)-9-isopropylpurine core C6-substituents, 64
CID 51049529
N-(3-fluorophenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921801
4-N-(3-chloro-4-fluorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747104
N-(3-chlorophenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
CID 19689599
N4-(3-chlorophenyl)-N2-(3,5-dimorpholinophenyl)-N4-methylpyrimidine-2,4-diamine
CID 25014843

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 112857652) is 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is Fc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is XPQCUCFOGIRFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O/c17-13-9-12(1-2-14(13)18)22-16-10-15(20-11-21-16)19-3-4-23-5-7-24-8-6-23/h1-2,9-11H,3-8H2,(H2,19,20,21,22).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 351.81 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).