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

C12H19N3 — CID 129287120

IUPAC2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCC(C)(C)Cc1ncc2c(n1)CNCC2
InChIInChI=1S/C12H19N3/c1-12(2,3)6-11-14-7-9-4-5-13-8-10(9)15-11/h7,13H,4-6,8H2,1-3H3
InChIKeyWDVIZMRJHDELTN-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.71
Rot. Bonds1

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

2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 129287120) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID129287120
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCC(C)(C)Cc1ncc2c(n1)CNCC2
InChIInChI=1S/C12H19N3/c1-12(2,3)6-11-14-7-9-4-5-13-8-10(9)15-11/h7,13H,4-6,8H2,1-3H3
InChIKeyWDVIZMRJHDELTN-UHFFFAOYSA-N
XLogP1.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 129287120) is 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CC(C)(C)Cc1ncc2c(n1)CNCC2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is WDVIZMRJHDELTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(2,3)6-11-14-7-9-4-5-13-8-10(9)15-11/h7,13H,4-6,8H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 205.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 129287120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).