4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine

C14H17FN4O — CID 80954383

IUPAC4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2ccc(F)cc2OC)n1
InChIInChI=1S/C14H17FN4O/c1-3-4-13-18-12(16)8-14(19-13)17-10-6-5-9(15)7-11(10)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeySKIMPTCBKNWKAJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.90
Rot. Bonds5

About 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine

4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80954383) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80954383
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2ccc(F)cc2OC)n1
InChIInChI=1S/C14H17FN4O/c1-3-4-13-18-12(16)8-14(19-13)17-10-6-5-9(15)7-11(10)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeySKIMPTCBKNWKAJ-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

4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
2-propyl-4-N-(2,3,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954841
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954438
4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 82861835
4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
CID 107794868
2-propyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954909
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80944222
N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80904650
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80949746
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine (CID 80954383) is 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(Nc2ccc(F)cc2OC)n1.
What is the InChIKey of 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is SKIMPTCBKNWKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-4-13-18-12(16)8-14(19-13)17-10-6-5-9(15)7-11(10)20-2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine?
4-N-(4-fluoro-2-methoxyphenyl)-2-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-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).