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

C17H32N6O — CID 66581314

IUPAC5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(N2CCC(CN(CCCN)CCCN)CC2)c(=O)[nH]1
InChIInChI=1S/C17H32N6O/c1-14-20-12-16(17(24)21-14)23-10-4-15(5-11-23)13-22(8-2-6-18)9-3-7-19/h12,15H,2-11,13,18-19H2,1H3,(H,20,21,24)
InChIKeyOQASPAKVDIQCPA-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.29
Rot. Bonds9

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

5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 66581314) has the molecular formula C17H32N6O and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID66581314
Molecular FormulaC17H32N6O
Molecular Weight336.48 g/mol
Exact Mass336.26
IUPAC Name5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(N2CCC(CN(CCCN)CCCN)CC2)c(=O)[nH]1
InChIInChI=1S/C17H32N6O/c1-14-20-12-16(17(24)21-14)23-10-4-15(5-11-23)13-22(8-2-6-18)9-3-7-19/h12,15H,2-11,13,18-19H2,1H3,(H,20,21,24)
InChIKeyOQASPAKVDIQCPA-UHFFFAOYSA-N
XLogP0.29
TPSA104.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 66581314) is 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(N2CCC(CN(CCCN)CCCN)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OQASPAKVDIQCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O/c1-14-20-12-16(17(24)21-14)23-10-4-15(5-11-23)13-22(8-2-6-18)9-3-7-19/h12,15H,2-11,13,18-19H2,1H3,(H,20,21,24).
What are the key properties of 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 336.48 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[bis(3-aminopropyl)amino]methyl]piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 66581314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).