1,2-dihydropyrimidine;piperidine

C9H17N3 — CID 69489554

IUPAC1,2-dihydropyrimidine;piperidine
SMILESC1=CNCN=C1.C1CCNCC1
InChIInChI=1S/C5H11N.C4H6N2/c1-2-4-6-5-3-1;1-2-5-4-6-3-1/h6H,1-5H2;1-3,5H,4H2
InChIKeyAFGXCYDWMUQQLO-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.89
Rot. Bonds

About 1,2-dihydropyrimidine;piperidine

1,2-dihydropyrimidine;piperidine (PubChem CID 69489554) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1,2-dihydropyrimidine;piperidine.

Molecular Properties

Compound Name1,2-dihydropyrimidine;piperidine
PubChem CID69489554
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1,2-dihydropyrimidine;piperidine
SMILESC1=CNCN=C1.C1CCNCC1
InChIInChI=1S/C5H11N.C4H6N2/c1-2-4-6-5-3-1;1-2-5-4-6-3-1/h6H,1-5H2;1-3,5H,4H2
InChIKeyAFGXCYDWMUQQLO-UHFFFAOYSA-N
XLogP0.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrimidine;piperidine?
The IUPAC name of 1,2-dihydropyrimidine;piperidine (CID 69489554) is 1,2-dihydropyrimidine;piperidine.
What is the SMILES notation for 1,2-dihydropyrimidine;piperidine?
The canonical SMILES for 1,2-dihydropyrimidine;piperidine is C1=CNCN=C1.C1CCNCC1.
What is the InChIKey of 1,2-dihydropyrimidine;piperidine?
The InChIKey is AFGXCYDWMUQQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H6N2/c1-2-4-6-5-3-1;1-2-5-4-6-3-1/h6H,1-5H2;1-3,5H,4H2.
What are the key properties of 1,2-dihydropyrimidine;piperidine?
1,2-dihydropyrimidine;piperidine has a molecular weight of 167.26 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrimidine;piperidine is sourced from PubChem (CID 69489554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).