1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C11H16ClN3O — CID 79073024

IUPAC1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1cnc(Cl)nc1NCC1(O)CCCC1
InChIInChI=1S/C11H16ClN3O/c1-8-6-13-10(12)15-9(8)14-7-11(16)4-2-3-5-11/h6,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyYJESWFGXNGRKIW-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.16
Rot. Bonds3

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

1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 79073024) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID79073024
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1cnc(Cl)nc1NCC1(O)CCCC1
InChIInChI=1S/C11H16ClN3O/c1-8-6-13-10(12)15-9(8)14-7-11(16)4-2-3-5-11/h6,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyYJESWFGXNGRKIW-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103321912
2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine
CID 106194269
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol
CID 104697738
1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80757941
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842820
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122500
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854394

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 79073024) is 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Cc1cnc(Cl)nc1NCC1(O)CCCC1.
What is the InChIKey of 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is YJESWFGXNGRKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-6-13-10(12)15-9(8)14-7-11(16)4-2-3-5-11/h6,16H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 241.72 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79073024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).