1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol

C12H19N3O3 — CID 112627918

IUPAC1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCOc1cc(OC)nc(N2CCC(C(C)O)C2)n1
InChIInChI=1S/C12H19N3O3/c1-8(16)9-4-5-15(7-9)12-13-10(17-2)6-11(14-12)18-3/h6,8-9,16H,4-5,7H2,1-3H3
InChIKeyACUDYXXWFFUOPS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.70
Rot. Bonds4

About 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112627918) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID112627918
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCOc1cc(OC)nc(N2CCC(C(C)O)C2)n1
InChIInChI=1S/C12H19N3O3/c1-8(16)9-4-5-15(7-9)12-13-10(17-2)6-11(14-12)18-3/h6,8-9,16H,4-5,7H2,1-3H3
InChIKeyACUDYXXWFFUOPS-UHFFFAOYSA-N
XLogP0.70
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[(3R)-1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 124733029
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
4,6-dimethoxy-2-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 97436267
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
CID 103703058
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 113293006
2-[4-(1-bromoethyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 106838651
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
1-[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 133397690
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol (CID 112627918) is 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol is COc1cc(OC)nc(N2CCC(C(C)O)C2)n1.
What is the InChIKey of 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is ACUDYXXWFFUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(16)9-4-5-15(7-9)12-13-10(17-2)6-11(14-12)18-3/h6,8-9,16H,4-5,7H2,1-3H3.
What are the key properties of 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 253.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).