1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C13H21N5O — CID 133108076

IUPAC1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCC1NNC(C)C1c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C13H21N5O/c1-8-12(9(2)17-16-8)13-14-5-3-11(15-13)18-6-4-10(19)7-18/h3,5,8-10,12,16-17,19H,4,6-7H2,1-2H3
InChIKeyUGGZYDYNYHPPNP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.02
Rot. Bonds2

About 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 133108076) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID133108076
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCC1NNC(C)C1c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C13H21N5O/c1-8-12(9(2)17-16-8)13-14-5-3-11(15-13)18-6-4-10(19)7-18/h3,5,8-10,12,16-17,19H,4,6-7H2,1-2H3
InChIKeyUGGZYDYNYHPPNP-UHFFFAOYSA-N
XLogP0.02
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50963891
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74239468
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 42641532
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
1-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74234331
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 133108076) is 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol is CC1NNC(C)C1c1nccc(N2CCC(O)C2)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is UGGZYDYNYHPPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8-12(9(2)17-16-8)13-14-5-3-11(15-13)18-6-4-10(19)7-18/h3,5,8-10,12,16-17,19H,4,6-7H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 263.34 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 133108076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).