3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine

C10H18N4O — CID 54503418

IUPAC3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine
SMILESCON1CC=CN=C1N1CCNC(C)C1
InChIInChI=1S/C10H18N4O/c1-9-8-13(7-5-11-9)10-12-4-3-6-14(10)15-2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyYEANPYSEPZFJAB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.03
Rot. Bonds1

About 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine

3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine (PubChem CID 54503418) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine.

Molecular Properties

Compound Name3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine
PubChem CID54503418
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine
SMILESCON1CC=CN=C1N1CCNC(C)C1
InChIInChI=1S/C10H18N4O/c1-9-8-13(7-5-11-9)10-12-4-3-6-14(10)15-2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyYEANPYSEPZFJAB-UHFFFAOYSA-N
XLogP0.03
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine?
The IUPAC name of 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine (CID 54503418) is 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine.
What is the SMILES notation for 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine?
The canonical SMILES for 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine is CON1CC=CN=C1N1CCNC(C)C1.
What is the InChIKey of 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine?
The InChIKey is YEANPYSEPZFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9-8-13(7-5-11-9)10-12-4-3-6-14(10)15-2/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine?
3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine has a molecular weight of 210.28 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methylpiperazin-1-yl)-4H-pyrimidine is sourced from PubChem (CID 54503418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).