5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one

C11H19BrN4O — CID 136800368

IUPAC5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1Br)C(C)CN(C)C
InChIInChI=1S/C11H19BrN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17)
InChIKeyUDOBJNVOJXKPGA-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.31
Rot. Bonds5

About 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one

5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136800368) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136800368
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1Br)C(C)CN(C)C
InChIInChI=1S/C11H19BrN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17)
InChIKeyUDOBJNVOJXKPGA-UHFFFAOYSA-N
XLogP1.31
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971138
5-Bromo-3-[2-(butylamino)ethyl]-6-methylpyrimidin-4-one
CID 66308773
5-Bromo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
CID 66309177
5-Bromo-3-[2-[3-(dimethylamino)propylamino]ethyl]pyrimidin-4-one
CID 66309377
5-Bromo-3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one
CID 66309426
5-Bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one
CID 66309637
5-Bromo-3-[2-(butan-2-ylamino)ethyl]pyrimidin-4-one
CID 66309799
5-Bromo-3-[2-(butan-2-ylamino)ethyl]-6-methylpyrimidin-4-one
CID 66310052
5-Bromo-6-methyl-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one
CID 66310480
5-Bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one
CID 66310648
5-Bromo-6-methyl-3-[2-(propylamino)ethyl]pyrimidin-4-one
CID 66310906
5-Bromo-3-[2-[2-(diethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one
CID 66310912

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one (CID 136800368) is 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one is CCN(c1nc[nH]c(=O)c1Br)C(C)CN(C)C.
What is the InChIKey of 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is UDOBJNVOJXKPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17).
What are the key properties of 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 303.20 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136800368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).