1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C12H18ClN3O — CID 65109026

IUPAC1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nc(Cl)c(C)c(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H18ClN3O/c1-8-10(13)15-9(2)16-11(8)14-7-12(17)5-3-4-6-12/h17H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyHSHJJNNPXDDFSH-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.46
Rot. Bonds3

About 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65109026) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65109026
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1nc(Cl)c(C)c(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H18ClN3O/c1-8-10(13)15-9(2)16-11(8)14-7-12(17)5-3-4-6-12/h17H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyHSHJJNNPXDDFSH-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 65109026) is 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Cc1nc(Cl)c(C)c(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is HSHJJNNPXDDFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-10(13)15-9(2)16-11(8)14-7-12(17)5-3-4-6-12/h17H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65109026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).