5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one

C11H19BrN4O — CID 136989726

IUPAC5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CCNC(C)(C)C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H19BrN4O/c1-11(2,3)15-5-6-16(4)9-8(12)10(17)14-7-13-9/h7,15H,5-6H2,1-4H3,(H,13,14,17)
InChIKeyZRZIZAULCFAVCQ-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.36
Rot. Bonds4

About 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one

5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one (PubChem CID 136989726) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one
PubChem CID136989726
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CCNC(C)(C)C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H19BrN4O/c1-11(2,3)15-5-6-16(4)9-8(12)10(17)14-7-13-9/h7,15H,5-6H2,1-4H3,(H,13,14,17)
InChIKeyZRZIZAULCFAVCQ-UHFFFAOYSA-N
XLogP1.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972460
5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957802
5-bromo-4-[(4-ethylphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136970837
5-bromo-4-[2-(methylamino)ethyl-propylamino]-1H-pyrimidin-6-one
CID 137008107
5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956563
4-[bis(2-aminoethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 137008125
N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63873229
3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one
CID 62927325
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one
CID 55157011
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 106999636
4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one (CID 136989726) is 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one is CN(CCNC(C)(C)C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZRZIZAULCFAVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-11(2,3)15-5-6-16(4)9-8(12)10(17)14-7-13-9/h7,15H,5-6H2,1-4H3,(H,13,14,17).
What are the key properties of 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one has a molecular weight of 303.20 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).