5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one

C6H8ClN3O2 — CID 136973818

IUPAC5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCO)c1Cl
InChIInChI=1S/C6H8ClN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12)
InChIKeyMETFTHXJLKBLRD-UHFFFAOYSA-N
MW189.60 g/mol
LogP-0.17
Rot. Bonds3

About 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136973818) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID136973818
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCO)c1Cl
InChIInChI=1S/C6H8ClN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12)
InChIKeyMETFTHXJLKBLRD-UHFFFAOYSA-N
XLogP-0.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
5-chloro-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737799
5-chloro-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790772
5-chloro-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790784
5-chloro-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932121
5-chloro-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730529
5-chloro-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772470
5-chloro-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827317
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849668
5-chloro-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866841
5-chloro-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870611
5-chloro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949435

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (CID 136973818) is 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCO)c1Cl.
What is the InChIKey of 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is METFTHXJLKBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12).
What are the key properties of 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 189.60 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).