1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one

C11H11BrN4OS — CID 115265023

IUPAC1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one
SMILESCC(=O)CNc1cc(Nc2ccc(Br)s2)ncn1
InChIInChI=1S/C11H11BrN4OS/c1-7(17)5-13-9-4-10(15-6-14-9)16-11-3-2-8(12)18-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16)
InChIKeySYYBWARQHFPDLF-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.05
Rot. Bonds5

About 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one

1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one (PubChem CID 115265023) has the molecular formula C11H11BrN4OS and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one
PubChem CID115265023
Molecular FormulaC11H11BrN4OS
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one
SMILESCC(=O)CNc1cc(Nc2ccc(Br)s2)ncn1
InChIInChI=1S/C11H11BrN4OS/c1-7(17)5-13-9-4-10(15-6-14-9)16-11-3-2-8(12)18-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16)
InChIKeySYYBWARQHFPDLF-UHFFFAOYSA-N
XLogP3.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one with MolForge

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Related Compounds

2-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264778
1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea
CID 117235224
1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
CID 115265039
1-[[6-(oxan-4-ylamino)pyrimidin-4-yl]amino]propan-2-one
CID 115265033
5-bromo-N-(5-bromothiophen-2-yl)pyridin-2-amine
CID 115146458
1-(1,2-oxazol-3-ylamino)propan-2-one
CID 134365641
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
N-[2-(5-bromothiophen-2-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 113234131
1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one
CID 115266890
4-[(5-bromothiophen-2-yl)amino]-2-methylbutanoic acid
CID 115220505

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one?
The IUPAC name of 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one (CID 115265023) is 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one?
The canonical SMILES for 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one is CC(=O)CNc1cc(Nc2ccc(Br)s2)ncn1.
What is the InChIKey of 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one?
The InChIKey is SYYBWARQHFPDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS/c1-7(17)5-13-9-4-10(15-6-14-9)16-11-3-2-8(12)18-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one?
1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one has a molecular weight of 327.21 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]amino]propan-2-one is sourced from PubChem (CID 115265023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).