4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one

C11H20N4O — CID 136829853

IUPAC4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CCCCCN)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O/c1-9-13-10(8-11(16)14-9)15(2)7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,16)
InChIKeyCTUUFZBNOHNODN-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.64
Rot. Bonds6

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

4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136829853) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136829853
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CCCCCN)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O/c1-9-13-10(8-11(16)14-9)15(2)7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,16)
InChIKeyCTUUFZBNOHNODN-UHFFFAOYSA-N
XLogP0.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
2-methyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957049
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137262841
N-(1-Hexyl-2-oxo-1,2-dihydro-pyrimidin-4-yl)-acetamide
CID 68974383
N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide
CID 70866379
4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136117232
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
3-Ethyl-6-(ethylamino)-2-methylpyrimidin-4-one
CID 12352076
3-[4-(Ethylamino)pentyl]-2,6-dimethylpyrimidin-4-one
CID 55236065

Frequently Asked Questions

What is the IUPAC name of 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136829853) is 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)CCCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CTUUFZBNOHNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-13-10(8-11(16)14-9)15(2)7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-aminopentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136829853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).