N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide

C10H17N3O3 — CID 19100919

IUPACN-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide
SMILESCC(=O)NC1NC(C)=C(CCO)C(=O)N1C
InChIInChI=1S/C10H17N3O3/c1-6-8(4-5-14)9(16)13(3)10(11-6)12-7(2)15/h10-11,14H,4-5H2,1-3H3,(H,12,15)
InChIKeyYRTNLEDZOZMFNA-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.88
Rot. Bonds3

About N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide

N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide (PubChem CID 19100919) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide
PubChem CID19100919
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide
SMILESCC(=O)NC1NC(C)=C(CCO)C(=O)N1C
InChIInChI=1S/C10H17N3O3/c1-6-8(4-5-14)9(16)13(3)10(11-6)12-7(2)15/h10-11,14H,4-5H2,1-3H3,(H,12,15)
InChIKeyYRTNLEDZOZMFNA-UHFFFAOYSA-N
XLogP-0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 269788
(2-Hydroxyethyl)-3,6-dimethyluracil
CID 129830464
3-Ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
CID 19100868
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 19100898
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 19100903
2-amino-5-(2-hydroxyethyl)-3,6-dimethyl-4(3H)-pyrimidinone
CID 19100928
2-(2-Ethoxyethylamino)-5-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
CID 20061459
5-(3-Aminopropyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 57879188
5-(2-Hydroxyethyl)-1,3,6-trimethylpyrimidine-2,4-dione
CID 57927585
6-Ethyl-5-(2-hydroxyethyl)pyrimidine-2,4-diol
CID 117858676
CID 117858969
CID 117858969
5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135736974

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide (CID 19100919) is N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide is CC(=O)NC1NC(C)=C(CCO)C(=O)N1C.
What is the InChIKey of N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide?
The InChIKey is YRTNLEDZOZMFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6-8(4-5-14)9(16)13(3)10(11-6)12-7(2)15/h10-11,14H,4-5H2,1-3H3,(H,12,15).
What are the key properties of N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide?
N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide has a molecular weight of 227.26 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyethyl)-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-2-yl]acetamide is sourced from PubChem (CID 19100919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).