4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

C16H19F2N5O — CID 112857698

IUPAC4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)c(F)c1
InChIInChI=1S/C16H19F2N5O/c17-12-1-2-14(13(18)9-12)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)
InChIKeyIHHLEGNMXQBMIN-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.24
Rot. Bonds6

About 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 112857698) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID112857698
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)c(F)c1
InChIInChI=1S/C16H19F2N5O/c17-12-1-2-14(13(18)9-12)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)
InChIKeyIHHLEGNMXQBMIN-UHFFFAOYSA-N
XLogP2.24
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717
4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857691
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168130
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112857696
N-(2,4-difluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185897
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112862560
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
4-(2,4-difluoroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207564
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301529
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112864590

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 112857698) is 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is Fc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)c(F)c1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is IHHLEGNMXQBMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c17-12-1-2-14(13(18)9-12)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-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 335.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).