2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C9H15N3O2 — CID 135736976

IUPAC2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)[nH]c(=O)c1CCO
InChIInChI=1S/C9H15N3O2/c1-6-7(4-5-13)8(14)11-9(10-6)12(2)3/h13H,4-5H2,1-3H3,(H,10,11,14)
InChIKeyWBRQXCQBTMQQKI-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.32
Rot. Bonds3

About 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135736976) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135736976
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)[nH]c(=O)c1CCO
InChIInChI=1S/C9H15N3O2/c1-6-7(4-5-13)8(14)11-9(10-6)12(2)3/h13H,4-5H2,1-3H3,(H,10,11,14)
InChIKeyWBRQXCQBTMQQKI-UHFFFAOYSA-N
XLogP-0.32
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135736976) is 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)C)[nH]c(=O)c1CCO.
What is the InChIKey of 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WBRQXCQBTMQQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-7(4-5-13)8(14)11-9(10-6)12(2)3/h13H,4-5H2,1-3H3,(H,10,11,14).
What are the key properties of 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135736976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).