[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C10H15FN4O — CID 80793920

IUPAC[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1ncc(F)c(N2CCCC2CO)n1
InChIInChI=1S/C10H15FN4O/c1-12-10-13-5-8(11)9(14-10)15-4-2-3-7(15)6-16/h5,7,16H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyNXCXNKNNMGZCJG-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.62
Rot. Bonds3

About [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 80793920) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID80793920
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1ncc(F)c(N2CCCC2CO)n1
InChIInChI=1S/C10H15FN4O/c1-12-10-13-5-8(11)9(14-10)15-4-2-3-7(15)6-16/h5,7,16H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyNXCXNKNNMGZCJG-UHFFFAOYSA-N
XLogP0.62
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
[1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 71922529
[(2S,4S)-1-(6-amino-5-chloropyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]methanol
CID 128979550
5-Fluoro-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 57819348
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]methanol
CID 70976626
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol
CID 79081341
2-Chloro-5-fluoro-N-((tetrahydrofuran-2-yl)methyl)pyrimidin-4-amine
CID 79081828
(2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79247137
(S)-2-((2-chloro-5-fluoropyrimidin-4-yl)amino)-3,3-dimethylbutan-1-ol
CID 86714732
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 118112326
[1-(2-Chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol
CID 118246476

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 80793920) is [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CNc1ncc(F)c(N2CCCC2CO)n1.
What is the InChIKey of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is NXCXNKNNMGZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-12-10-13-5-8(11)9(14-10)15-4-2-3-7(15)6-16/h5,7,16H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 226.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80793920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).