4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine

C13H14F2N4 — CID 80954438

IUPAC4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2cccc(F)c2F)n1
InChIInChI=1S/C13H14F2N4/c1-2-4-11-18-10(16)7-12(19-11)17-9-6-3-5-8(14)13(9)15/h3,5-7H,2,4H2,1H3,(H3,16,17,18,19)
InChIKeyVCXOLNXCHMIXOZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.03
Rot. Bonds4

About 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine

4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80954438) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80954438
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2cccc(F)c2F)n1
InChIInChI=1S/C13H14F2N4/c1-2-4-11-18-10(16)7-12(19-11)17-9-6-3-5-8(14)13(9)15/h3,5-7H,2,4H2,1H3,(H3,16,17,18,19)
InChIKeyVCXOLNXCHMIXOZ-UHFFFAOYSA-N
XLogP3.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-4-N-(2,3,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954841
2-propyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954909
4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80797550
2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80945825
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946886
4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
CID 107794868
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine (CID 80954438) is 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(Nc2cccc(F)c2F)n1.
What is the InChIKey of 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is VCXOLNXCHMIXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-2-4-11-18-10(16)7-12(19-11)17-9-6-3-5-8(14)13(9)15/h3,5-7H,2,4H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine?
4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 264.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).