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

C12H15N5 — CID 114272809

IUPAC4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCn1cnc(-c2ncnc3c2CNCC3)c1
InChIInChI=1S/C12H15N5/c1-2-17-6-11(16-8-17)12-9-5-13-4-3-10(9)14-7-15-12/h6-8,13H,2-5H2,1H3
InChIKeyHWHUMDMJDXCSOR-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.01
Rot. Bonds2

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

4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114272809) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114272809
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCn1cnc(-c2ncnc3c2CNCC3)c1
InChIInChI=1S/C12H15N5/c1-2-17-6-11(16-8-17)12-9-5-13-4-3-10(9)14-7-15-12/h6-8,13H,2-5H2,1H3
InChIKeyHWHUMDMJDXCSOR-UHFFFAOYSA-N
XLogP1.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114272809) is 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCn1cnc(-c2ncnc3c2CNCC3)c1.
What is the InChIKey of 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is HWHUMDMJDXCSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-17-6-11(16-8-17)12-9-5-13-4-3-10(9)14-7-15-12/h6-8,13H,2-5H2,1H3.
What are the key properties of 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114272809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).