4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one

C7H11N3O2 — CID 136956025

IUPAC4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCO)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-5-9-6(8-2-3-11)4-7(12)10-5/h4,11H,2-3H2,1H3,(H2,8,9,10,12)
InChIKeyMPLOOTOAKRCHDR-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.52
Rot. Bonds3

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

4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956025) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956025
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCO)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-5-9-6(8-2-3-11)4-7(12)10-5/h4,11H,2-3H2,1H3,(H2,8,9,10,12)
InChIKeyMPLOOTOAKRCHDR-UHFFFAOYSA-N
XLogP-0.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136737795
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737800
2-ethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737802
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737807
2-ethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790775
2-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790776
4-[(3,3-difluoro-2-hydroxypropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136790786
4-[(3,3-difluoro-2-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136790787
4-[(2,2-difluoro-3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849686
5-bromo-4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 135991652
4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136117232

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956025) is 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MPLOOTOAKRCHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-9-6(8-2-3-11)4-7(12)10-5/h4,11H,2-3H2,1H3,(H2,8,9,10,12).
What are the key properties of 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).