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

C10H15N3 — CID 22308430

IUPAC2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)c1ncc2c(n1)CCNC2
InChIInChI=1S/C10H15N3/c1-7(2)10-12-6-8-5-11-4-3-9(8)13-10/h6-7,11H,3-5H2,1-2H3
InChIKeyCJKMUTXSZGDRJB-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.25
Rot. Bonds1

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

2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 22308430) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID22308430
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(C)c1ncc2c(n1)CCNC2
InChIInChI=1S/C10H15N3/c1-7(2)10-12-6-8-5-11-4-3-9(8)13-10/h6-7,11H,3-5H2,1-2H3
InChIKeyCJKMUTXSZGDRJB-UHFFFAOYSA-N
XLogP1.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 22308430) is 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC(C)c1ncc2c(n1)CCNC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is CJKMUTXSZGDRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)10-12-6-8-5-11-4-3-9(8)13-10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 22308430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).