3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

C10H14ClN3O — CID 66006827

IUPAC3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCc1c(Cl)ncnc1NCC1CC(O)C1
InChIInChI=1S/C10H14ClN3O/c1-6-9(11)13-5-14-10(6)12-4-7-2-8(15)3-7/h5,7-8,15H,2-4H2,1H3,(H,12,13,14)
InChIKeyIZRMZJKJPMJLIU-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.62
Rot. Bonds3

About 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 66006827) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
PubChem CID66006827
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCc1c(Cl)ncnc1NCC1CC(O)C1
InChIInChI=1S/C10H14ClN3O/c1-6-9(11)13-5-14-10(6)12-4-7-2-8(15)3-7/h5,7-8,15H,2-4H2,1H3,(H,12,13,14)
InChIKeyIZRMZJKJPMJLIU-UHFFFAOYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (CID 66006827) is 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is Cc1c(Cl)ncnc1NCC1CC(O)C1.
What is the InChIKey of 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is IZRMZJKJPMJLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-9(11)13-5-14-10(6)12-4-7-2-8(15)3-7/h5,7-8,15H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 227.69 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66006827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).