1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

C18H23N3O2 — CID 71917637

IUPAC1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCOc1ccnc(N(Cc2ccccc2)CC2(O)CCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-23-16-9-12-19-17(20-16)21(13-15-7-3-2-4-8-15)14-18(22)10-5-6-11-18/h2-4,7-9,12,22H,5-6,10-11,13-14H2,1H3
InChIKeyJONWBRDFNRUFOZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.80
Rot. Bonds6

About 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 71917637) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID71917637
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCOc1ccnc(N(Cc2ccccc2)CC2(O)CCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-23-16-9-12-19-17(20-16)21(13-15-7-3-2-4-8-15)14-18(22)10-5-6-11-18/h2-4,7-9,12,22H,5-6,10-11,13-14H2,1H3
InChIKeyJONWBRDFNRUFOZ-UHFFFAOYSA-N
XLogP2.80
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (CID 71917637) is 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is COc1ccnc(N(Cc2ccccc2)CC2(O)CCCC2)n1.
What is the InChIKey of 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is JONWBRDFNRUFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-16-9-12-19-17(20-16)21(13-15-7-3-2-4-8-15)14-18(22)10-5-6-11-18/h2-4,7-9,12,22H,5-6,10-11,13-14H2,1H3.
What are the key properties of 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzyl-(4-methoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 71917637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).