4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine

C13H14F2N4 — CID 80759482

IUPAC4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C13H14F2N4/c1-2-6-16-13-17-7-5-12(19-13)18-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyUCXBXCRMEMEHLB-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.32
Rot. Bonds5

About 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80759482) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80759482
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C13H14F2N4/c1-2-6-16-13-17-7-5-12(19-13)18-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyUCXBXCRMEMEHLB-UHFFFAOYSA-N
XLogP3.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887881
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80803992
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
CID 112881982
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881959
2-N-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112883125

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine (CID 80759482) is 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2cc(F)ccc2F)n1.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is UCXBXCRMEMEHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-2-6-16-13-17-7-5-12(19-13)18-11-8-9(14)3-4-10(11)15/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 264.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80759482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).