5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one

C10H16BrN3O — CID 136957468

IUPAC5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-3-4-5-6-14(2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyPRPJCWYPXCVNCJ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.16
Rot. Bonds5

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

5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957468) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
PubChem CID136957468
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-3-4-5-6-14(2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyPRPJCWYPXCVNCJ-UHFFFAOYSA-N
XLogP2.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 142964904
5-bromo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957056
5-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957959
5-bromo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971135
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701816
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
5-bromo-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
CID 136736684
5-bromo-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750468
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one (CID 136957468) is 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one is CCCCCN(C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is PRPJCWYPXCVNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-4-5-6-14(2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 274.16 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).