2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol

C12H18ClN3O2 — CID 80752339

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol
SMILESCOc1ncc(Cl)c(N(CCO)C2CCCC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-18-12-14-8-10(13)11(15-12)16(6-7-17)9-4-2-3-5-9/h8-9,17H,2-7H2,1H3
InChIKeyASRICZWIXVXSET-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.88
Rot. Bonds5

About 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol

2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol (PubChem CID 80752339) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol
PubChem CID80752339
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol
SMILESCOc1ncc(Cl)c(N(CCO)C2CCCC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-18-12-14-8-10(13)11(15-12)16(6-7-17)9-4-2-3-5-9/h8-9,17H,2-7H2,1H3
InChIKeyASRICZWIXVXSET-UHFFFAOYSA-N
XLogP1.88
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
CID 80811147
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
CID 80752006
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80753262
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904782
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-methoxy-N-methylpyrimidin-4-amine
CID 80751744
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
2-[cyclohexyl-[(2-methoxypyrimidin-5-yl)methyl]amino]ethanol
CID 131920208
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
2-[cyclopropyl-(3,5-dichloro-2-pyridinyl)amino]ethanol
CID 61146210
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 80758602

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol (CID 80752339) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol is COc1ncc(Cl)c(N(CCO)C2CCCC2)n1.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol?
The InChIKey is ASRICZWIXVXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-18-12-14-8-10(13)11(15-12)16(6-7-17)9-4-2-3-5-9/h8-9,17H,2-7H2,1H3.
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol?
2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol has a molecular weight of 271.75 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol is sourced from PubChem (CID 80752339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).