4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one

C10H15BrN4O — CID 136827345

IUPAC4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESNCCN(c1nc[nH]c(=O)c1Br)C1CCC1
InChIInChI=1S/C10H15BrN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyZFFLTHSCCYIQRM-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.85
Rot. Bonds4

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

4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136827345) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136827345
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESNCCN(c1nc[nH]c(=O)c1Br)C1CCC1
InChIInChI=1S/C10H15BrN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyZFFLTHSCCYIQRM-UHFFFAOYSA-N
XLogP0.85
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136728228
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136728237
5-Bromo-6-[(3,3-difluorocyclobutyl)amino]-3,4-dihydropyrimidin-4-one
CID 164651910
5-bromo-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672453
4-(3-amino-4-methylpyrrolidin-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 136677206
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713545
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713576
5-bromo-4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726419
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
5-bromo-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726436
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
5-bromo-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyrimidin-6-one
CID 136780739

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one (CID 136827345) is 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one is NCCN(c1nc[nH]c(=O)c1Br)C1CCC1.
What is the InChIKey of 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is ZFFLTHSCCYIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16).
What are the key properties of 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one?
4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136827345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).