4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one

C10H17N3O3 — CID 136957505

IUPAC4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(CCOC)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O3/c1-15-5-3-13(4-6-16-2)9-7-10(14)12-8-11-9/h7-8H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyYAYPZXBXCXNAMG-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.13
Rot. Bonds7

About 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one

4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957505) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957505
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(CCOC)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O3/c1-15-5-3-13(4-6-16-2)9-7-10(14)12-8-11-9/h7-8H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyYAYPZXBXCXNAMG-UHFFFAOYSA-N
XLogP-0.13
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-6-morpholinopyrimidin-4(3H)-one
CID 136188794
6-Morpholinopyrimidin-4-ol
CID 136128233
4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896834
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956681
2,6-Diamino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525147
2-Amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525154
2-Amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525155
6-Amino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525168
2-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136473820
4-(1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957839
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137138532
2-(1,3-Dimethoxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 140038026

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one (CID 136957505) is 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one is COCCN(CCOC)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YAYPZXBXCXNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-15-5-3-13(4-6-16-2)9-7-10(14)12-8-11-9/h7-8H,3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).