5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C14H25N5O — CID 89495155

IUPAC5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(N2CCC(CNCCCN)CC2)c(=O)[nH]1
InChIInChI=1S/C14H25N5O/c1-11-17-10-13(14(20)18-11)19-7-3-12(4-8-19)9-16-6-2-5-15/h10,12,16H,2-9,15H2,1H3,(H,17,18,20)
InChIKeyHMAHSSMUGPDNSX-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.23
Rot. Bonds6

About 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 89495155) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID89495155
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(N2CCC(CNCCCN)CC2)c(=O)[nH]1
InChIInChI=1S/C14H25N5O/c1-11-17-10-13(14(20)18-11)19-7-3-12(4-8-19)9-16-6-2-5-15/h10,12,16H,2-9,15H2,1H3,(H,17,18,20)
InChIKeyHMAHSSMUGPDNSX-UHFFFAOYSA-N
XLogP0.23
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.23
H-Bond Donors ≤ 53
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 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 89495155) is 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(N2CCC(CNCCCN)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HMAHSSMUGPDNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-17-10-13(14(20)18-11)19-7-3-12(4-8-19)9-16-6-2-5-15/h10,12,16H,2-9,15H2,1H3,(H,17,18,20).
What are the key properties of 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 279.39 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-aminopropylamino)methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 89495155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).