4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one

C10H16BrN3O3 — CID 136957504

IUPAC4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCOCCN(CCOC)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O3/c1-16-5-3-14(4-6-17-2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVBXAOZWNSPAGMY-UHFFFAOYSA-N
MW306.16 g/mol
LogP0.63
Rot. Bonds7

About 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one

4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136957504) has the molecular formula C10H16BrN3O3 and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136957504
Molecular FormulaC10H16BrN3O3
Molecular Weight306.16 g/mol
Exact Mass305.04
IUPAC Name4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESCOCCN(CCOC)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O3/c1-16-5-3-14(4-6-17-2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVBXAOZWNSPAGMY-UHFFFAOYSA-N
XLogP0.63
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896835
5-bromo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956680
5-Bromo-3-[3-(2-methoxyethylamino)propyl]-6-methylpyrimidin-4-one
CID 66307945
5-Bromo-3-[2-(2-methoxyethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66307947
5-Bromo-3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one
CID 66308102
5-Bromo-3-[3-(2-methoxyethylamino)propyl]pyrimidin-4-one
CID 66308309
5-Bromo-3-[4-(2-methoxyethylamino)butyl]-6-methylpyrimidin-4-one
CID 66308989
5-Bromo-3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one
CID 66309156
5-Bromo-3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one
CID 66309589
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331
5-bromo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586340
5-bromo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586385

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one (CID 136957504) is 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one is COCCN(CCOC)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is VBXAOZWNSPAGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O3/c1-16-5-3-14(4-6-17-2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one?
4-[bis(2-methoxyethyl)amino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 306.16 g/mol, XLogP of 0.63, 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]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).