5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one

C12H19BrN4O — CID 136956515

IUPAC5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CN1CCCCC1)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C12H19BrN4O/c1-9(7-17-5-3-2-4-6-17)16-11-10(13)12(18)15-8-14-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyIEDUCCBIZLBECW-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.82
Rot. Bonds4

About 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956515) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956515
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CN1CCCCC1)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C12H19BrN4O/c1-9(7-17-5-3-2-4-6-17)16-11-10(13)12(18)15-8-14-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyIEDUCCBIZLBECW-UHFFFAOYSA-N
XLogP1.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one
CID 141111981
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
5-Bromo-3-[2-(cyclohexylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309844
5-Bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66309968
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-bromo-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672453
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one (CID 136956515) is 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one is CC(CN1CCCCC1)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is IEDUCCBIZLBECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-9(7-17-5-3-2-4-6-17)16-11-10(13)12(18)15-8-14-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18).
What are the key properties of 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 315.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-piperidin-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).