2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol

C15H23N3O — CID 114339630

IUPAC2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1ncccn1
InChIInChI=1S/C15H23N3O/c19-14-7-2-1-5-12(14)13-6-3-10-18(13)11-15-16-8-4-9-17-15/h4,8-9,12-14,19H,1-3,5-7,10-11H2
InChIKeyNDXXNZDEYBDLLL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds3

About 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339630) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339630
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1ncccn1
InChIInChI=1S/C15H23N3O/c19-14-7-2-1-5-12(14)13-6-3-10-18(13)11-15-16-8-4-9-17-15/h4,8-9,12-14,19H,1-3,5-7,10-11H2
InChIKeyNDXXNZDEYBDLLL-UHFFFAOYSA-N
XLogP1.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030
2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339826
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129352895
2-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339128
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340144
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
2-[1-(cyclohexylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339715
cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129445632
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339630) is 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1Cc1ncccn1.
What is the InChIKey of 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is NDXXNZDEYBDLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-14-7-2-1-5-12(14)13-6-3-10-18(13)11-15-16-8-4-9-17-15/h4,8-9,12-14,19H,1-3,5-7,10-11H2.
What are the key properties of 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).