5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one

C10H10BrN3O2 — CID 136975409

IUPAC5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc[nH]c(=O)c2Br)o1
InChIInChI=1S/C10H10BrN3O2/c1-6-2-3-7(16-6)4-12-9-8(11)10(15)14-5-13-9/h2-3,5H,4H2,1H3,(H2,12,13,14,15)
InChIKeyPCIQGFHVUYGHFR-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.05
Rot. Bonds3

About 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975409) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975409
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc[nH]c(=O)c2Br)o1
InChIInChI=1S/C10H10BrN3O2/c1-6-2-3-7(16-6)4-12-9-8(11)10(15)14-5-13-9/h2-3,5H,4H2,1H3,(H2,12,13,14,15)
InChIKeyPCIQGFHVUYGHFR-UHFFFAOYSA-N
XLogP2.05
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136976397
5-bromo-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975161
2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
CID 154596531
5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136974472
4-[(3-amino-4-methoxyphenyl)methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979406
5-bromo-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974331
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
5-bromo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857191
5-bromo-4-[(5-bromo-2-fluorophenyl)methylamino]-1H-pyrimidin-6-one
CID 136974694
4-[(3-aminophenyl)methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979440
5-bromo-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 137011139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136975409) is 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1ccc(CNc2nc[nH]c(=O)c2Br)o1.
What is the InChIKey of 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is PCIQGFHVUYGHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-6-2-3-7(16-6)4-12-9-8(11)10(15)14-5-13-9/h2-3,5H,4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 284.11 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).