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

C14H25N5O — CID 136972676

IUPAC4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(CCCCCN)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H25N5O/c1-12-16-13(11-14(20)17-12)19-9-7-18(8-10-19)6-4-2-3-5-15/h11H,2-10,15H2,1H3,(H,16,17,20)
InChIKeyQUYMFUORCARSDQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.33
Rot. Bonds6

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

4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136972676) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136972676
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(CCCCCN)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H25N5O/c1-12-16-13(11-14(20)17-12)19-9-7-18(8-10-19)6-4-2-3-5-15/h11H,2-10,15H2,1H3,(H,16,17,20)
InChIKeyQUYMFUORCARSDQ-UHFFFAOYSA-N
XLogP0.33
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136972676) is 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCN(CCCCCN)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QUYMFUORCARSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-12-16-13(11-14(20)17-12)19-9-7-18(8-10-19)6-4-2-3-5-15/h11H,2-10,15H2,1H3,(H,16,17,20).
What are the key properties of 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 279.39 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).