2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine

C15H27N7O — CID 66581382

IUPAC2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine
SMILESNC(N)=NCCCCCN1CCC(c2cnc(N)[nH]c2=O)CC1
InChIInChI=1S/C15H27N7O/c16-14(17)19-6-2-1-3-7-22-8-4-11(5-9-22)12-10-20-15(18)21-13(12)23/h10-11H,1-9H2,(H4,16,17,19)(H3,18,20,21,23)
InChIKeyDPANGGCDJIAVEW-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.02
Rot. Bonds7

About 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine

2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine (PubChem CID 66581382) has the molecular formula C15H27N7O and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine.

Molecular Properties

Compound Name2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine
PubChem CID66581382
Molecular FormulaC15H27N7O
Molecular Weight321.43 g/mol
Exact Mass321.23
IUPAC Name2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine
SMILESNC(N)=NCCCCCN1CCC(c2cnc(N)[nH]c2=O)CC1
InChIInChI=1S/C15H27N7O/c16-14(17)19-6-2-1-3-7-22-8-4-11(5-9-22)12-10-20-15(18)21-13(12)23/h10-11H,1-9H2,(H4,16,17,19)(H3,18,20,21,23)
InChIKeyDPANGGCDJIAVEW-UHFFFAOYSA-N
XLogP-0.02
TPSA139.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine?
The IUPAC name of 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine (CID 66581382) is 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine.
What is the SMILES notation for 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine?
The canonical SMILES for 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine is NC(N)=NCCCCCN1CCC(c2cnc(N)[nH]c2=O)CC1.
What is the InChIKey of 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine?
The InChIKey is DPANGGCDJIAVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O/c16-14(17)19-6-2-1-3-7-22-8-4-11(5-9-22)12-10-20-15(18)21-13(12)23/h10-11H,1-9H2,(H4,16,17,19)(H3,18,20,21,23).
What are the key properties of 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine?
2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine has a molecular weight of 321.43 g/mol, XLogP of -0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]pentyl]guanidine is sourced from PubChem (CID 66581382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).