5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one

C9H14BrN3O2 — CID 136957329

IUPAC5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCCCC(O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-2-3-6(14)4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeyLTNXGSBTFFFSRI-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.11
Rot. Bonds5

About 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one

5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136957329) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one
PubChem CID136957329
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCCCC(O)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-2-3-6(14)4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15)
InChIKeyLTNXGSBTFFFSRI-UHFFFAOYSA-N
XLogP1.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one (CID 136957329) is 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one is CCCC(O)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is LTNXGSBTFFFSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-2-3-6(14)4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 276.13 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-hydroxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).