3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine

C13H23N3 — CID 58748064

IUPAC3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)N1C=NC2=C(C1)CN(C(C)C)CC2
InChIInChI=1S/C13H23N3/c1-10(2)15-6-5-13-12(7-15)8-16(9-14-13)11(3)4/h9-11H,5-8H2,1-4H3
InChIKeyALKJPQZTLRIKAP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.11
Rot. Bonds2

About 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine

3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 58748064) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID58748064
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)N1C=NC2=C(C1)CN(C(C)C)CC2
InChIInChI=1S/C13H23N3/c1-10(2)15-6-5-13-12(7-15)8-16(9-14-13)11(3)4/h9-11H,5-8H2,1-4H3
InChIKeyALKJPQZTLRIKAP-UHFFFAOYSA-N
XLogP2.11
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 58748064) is 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC(C)N1C=NC2=C(C1)CN(C(C)C)CC2.
What is the InChIKey of 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ALKJPQZTLRIKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)15-6-5-13-12(7-15)8-16(9-14-13)11(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 221.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 58748064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).