5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C10H15BrN4O — CID 136780969

IUPAC5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCN1)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5H2,1H3,(H,13,14,16)
InChIKeyKVYBCDWPUKNHLV-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.72
Rot. Bonds3

About 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780969) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780969
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCN1)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5H2,1H3,(H,13,14,16)
InChIKeyKVYBCDWPUKNHLV-UHFFFAOYSA-N
XLogP0.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-6-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66308120
5-Bromo-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66308165
5-Bromo-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66309552
5-bromo-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819828
5-bromo-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819829
5-bromo-6-methyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819830
5-bromo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819831
5-bromo-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819832
5-bromo-2-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819833
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
5-bromo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680000

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780969) is 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CN(CC1CCCN1)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KVYBCDWPUKNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).