4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C10H15N4+ — CID 163961552

IUPAC4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESC[N+]1(c2ncnc3c2CNCC3)CC1
InChIInChI=1S/C10H15N4/c1-14(4-5-14)10-8-6-11-3-2-9(8)12-7-13-10/h7,11H,2-6H2,1H3/q+1
InChIKeyWYNJMCRBPCDWJC-UHFFFAOYSA-N
MW191.26 g/mol
LogP0.07
Rot. Bonds1

About 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 163961552) has the molecular formula C10H15N4+ and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID163961552
Molecular FormulaC10H15N4+
Molecular Weight191.26 g/mol
Exact Mass191.13
IUPAC Name4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESC[N+]1(c2ncnc3c2CNCC3)CC1
InChIInChI=1S/C10H15N4/c1-14(4-5-14)10-8-6-11-3-2-9(8)12-7-13-10/h7,11H,2-6H2,1H3/q+1
InChIKeyWYNJMCRBPCDWJC-UHFFFAOYSA-N
XLogP0.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 163961552) is 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is C[N+]1(c2ncnc3c2CNCC3)CC1.
What is the InChIKey of 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is WYNJMCRBPCDWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N4/c1-14(4-5-14)10-8-6-11-3-2-9(8)12-7-13-10/h7,11H,2-6H2,1H3/q+1.
What are the key properties of 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 191.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 163961552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).