4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine

C15H17FN4O — CID 97282748

IUPAC4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CC[C@@H](c3ccccc3F)C2)nc(N)n1
InChIInChI=1S/C15H17FN4O/c1-21-14-8-13(18-15(17)19-14)20-7-6-10(9-20)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyLFUKBKWPQYFTIW-SNVBAGLBSA-N
MW288.33 g/mol
LogP2.20
Rot. Bonds3

About 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine

4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 97282748) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID97282748
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CC[C@@H](c3ccccc3F)C2)nc(N)n1
InChIInChI=1S/C15H17FN4O/c1-21-14-8-13(18-15(17)19-14)20-7-6-10(9-20)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyLFUKBKWPQYFTIW-SNVBAGLBSA-N
XLogP2.20
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
CID 97282747
4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 72869002
4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 97123008
4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 72846151
4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45184702
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 96573599
4-methoxy-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 146044412
ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 39820595
4-chloro-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 78984004
4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72871640
2-[4-(2-fluorophenyl)piperidin-1-yl]quinoline
CID 174513092
4-methoxy-6-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72895619

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine (CID 97282748) is 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CC[C@@H](c3ccccc3F)C2)nc(N)n1.
What is the InChIKey of 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is LFUKBKWPQYFTIW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-21-14-8-13(18-15(17)19-14)20-7-6-10(9-20)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7,9H2,1H3,(H2,17,18,19)/t10-/m1/s1.
What are the key properties of 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine?
4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 288.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 97282748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).