4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine

C14H17FN4O — CID 114841127

IUPAC4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccc(F)c(OC)c1
InChIInChI=1S/C14H17FN4O/c1-3-4-10-13(16)17-8-18-14(10)19-9-5-6-11(15)12(7-9)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyOETKVIISJKWQFQ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.90
Rot. Bonds5

About 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine

4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 114841127) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID114841127
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccc(F)c(OC)c1
InChIInChI=1S/C14H17FN4O/c1-3-4-10-13(16)17-8-18-14(10)19-9-5-6-11(15)12(7-9)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyOETKVIISJKWQFQ-UHFFFAOYSA-N
XLogP2.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 63728931
4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
CID 107795065
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117
5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80738120
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
N-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 114840671
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine (CID 114841127) is 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1ccc(F)c(OC)c1.
What is the InChIKey of 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is OETKVIISJKWQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-4-10-13(16)17-8-18-14(10)19-9-5-6-11(15)12(7-9)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 276.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114841127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).