2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine

C10H17N3 — CID 70338609

IUPAC2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine
SMILESCC1CCN(C2N=CC=CN2)CC1
InChIInChI=1S/C10H17N3/c1-9-3-7-13(8-4-9)10-11-5-2-6-12-10/h2,5-6,9-11H,3-4,7-8H2,1H3
InChIKeyALSKAHDSSCVJMF-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.19
Rot. Bonds1

About 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine

2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine (PubChem CID 70338609) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine
PubChem CID70338609
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine
SMILESCC1CCN(C2N=CC=CN2)CC1
InChIInChI=1S/C10H17N3/c1-9-3-7-13(8-4-9)10-11-5-2-6-12-10/h2,5-6,9-11H,3-4,7-8H2,1H3
InChIKeyALSKAHDSSCVJMF-UHFFFAOYSA-N
XLogP1.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine (CID 70338609) is 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine is CC1CCN(C2N=CC=CN2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine?
The InChIKey is ALSKAHDSSCVJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-3-7-13(8-4-9)10-11-5-2-6-12-10/h2,5-6,9-11H,3-4,7-8H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine?
2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine has a molecular weight of 179.27 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1,2-dihydropyrimidine is sourced from PubChem (CID 70338609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).