6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine

C12H13FN4 — CID 104739267

IUPAC6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1-c1ccncc1F
InChIInChI=1S/C12H13FN4/c1-2-3-9-11(16-7-17-12(9)14)8-4-5-15-6-10(8)13/h4-7H,2-3H2,1H3,(H2,14,16,17)
InChIKeyXHDMWDNETDAJOJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.21
Rot. Bonds3

About 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine

6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine (PubChem CID 104739267) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine
PubChem CID104739267
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1-c1ccncc1F
InChIInChI=1S/C12H13FN4/c1-2-3-9-11(16-7-17-12(9)14)8-4-5-15-6-10(8)13/h4-7H,2-3H2,1H3,(H2,14,16,17)
InChIKeyXHDMWDNETDAJOJ-UHFFFAOYSA-N
XLogP2.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine
CID 104739313
N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine
CID 104739182
N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709064
6-[2-(2-methoxyethoxy)phenyl]-5-propylpyrimidin-4-amine
CID 104663231
4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
CID 104739134
4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine
CID 104739316
4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde
CID 104739143
4-(3-fluoro-4-pyridinyl)phthalazin-1-amine
CID 104739186
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117
4-chloro-5-propyl-6-(2,4,5-trifluorophenyl)pyrimidine
CID 113324556
6-ethylsulfanyl-5-propylpyrimidin-4-amine
CID 80887417

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine (CID 104739267) is 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1-c1ccncc1F.
What is the InChIKey of 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine?
The InChIKey is XHDMWDNETDAJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-2-3-9-11(16-7-17-12(9)14)8-4-5-15-6-10(8)13/h4-7H,2-3H2,1H3,(H2,14,16,17).
What are the key properties of 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine?
6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine has a molecular weight of 232.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 104739267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).