[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C10H15FN4O — CID 112629584

IUPAC[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCNc1ncc(F)c(N2CCC(CO)C2)n1
InChIInChI=1S/C10H15FN4O/c1-12-10-13-4-8(11)9(14-10)15-3-2-7(5-15)6-16/h4,7,16H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyMPIALVLDPSJIGR-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.48
Rot. Bonds3

About [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 112629584) 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-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID112629584
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCNc1ncc(F)c(N2CCC(CO)C2)n1
InChIInChI=1S/C10H15FN4O/c1-12-10-13-4-8(11)9(14-10)15-3-2-7(5-15)6-16/h4,7,16H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyMPIALVLDPSJIGR-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80798443
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80834380
[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782658
5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
CID 80823570
[1-[3-(methylamino)quinoxalin-2-yl]pyrrolidin-3-yl]methanol
CID 71648040
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
CID 80780024
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428
8-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846696
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674672

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 112629584) is [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is CNc1ncc(F)c(N2CCC(CO)C2)n1.
What is the InChIKey of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is MPIALVLDPSJIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-12-10-13-4-8(11)9(14-10)15-3-2-7(5-15)6-16/h4,7,16H,2-3,5-6H2,1H3,(H,12,13,14).
What are the key properties of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 226.25 g/mol, XLogP of 0.48, 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-3-yl]methanol is sourced from PubChem (CID 112629584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).