2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol

C13H21N3O — CID 131889268

IUPAC2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCc1ncc(CN2CCC(C(C)(C)O)C2)cn1
InChIInChI=1S/C13H21N3O/c1-10-14-6-11(7-15-10)8-16-5-4-12(9-16)13(2,3)17/h6-7,12,17H,4-5,8-9H2,1-3H3
InChIKeyVYCPKYJKCPOZRY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds3

About 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol

2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol (PubChem CID 131889268) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
PubChem CID131889268
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCc1ncc(CN2CCC(C(C)(C)O)C2)cn1
InChIInChI=1S/C13H21N3O/c1-10-14-6-11(7-15-10)8-16-5-4-12(9-16)13(2,3)17/h6-7,12,17H,4-5,8-9H2,1-3H3
InChIKeyVYCPKYJKCPOZRY-UHFFFAOYSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 126946539
2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131912751
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
2-methyl-5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 118739889
2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131911427
2-ethyl-5-[(2-methylpyrimidin-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 144878183
1-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947750
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 83980891
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 92581382

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol (CID 131889268) is 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol is Cc1ncc(CN2CCC(C(C)(C)O)C2)cn1.
What is the InChIKey of 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol?
The InChIKey is VYCPKYJKCPOZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-14-6-11(7-15-10)8-16-5-4-12(9-16)13(2,3)17/h6-7,12,17H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol?
2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 131889268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).