4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine

C12H17N3 — CID 135169337

IUPAC4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine
SMILESCCC(C)(C)C1=NC=NC2C=CC=NC12
InChIInChI=1S/C12H17N3/c1-4-12(2,3)11-10-9(14-8-15-11)6-5-7-13-10/h5-10H,4H2,1-3H3
InChIKeyCXCPMBGCGFMSDI-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.28
Rot. Bonds2

About 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine

4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine (PubChem CID 135169337) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine
PubChem CID135169337
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine
SMILESCCC(C)(C)C1=NC=NC2C=CC=NC12
InChIInChI=1S/C12H17N3/c1-4-12(2,3)11-10-9(14-8-15-11)6-5-7-13-10/h5-10H,4H2,1-3H3
InChIKeyCXCPMBGCGFMSDI-UHFFFAOYSA-N
XLogP2.28
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine?
The IUPAC name of 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine (CID 135169337) is 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine is CCC(C)(C)C1=NC=NC2C=CC=NC12.
What is the InChIKey of 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine?
The InChIKey is CXCPMBGCGFMSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-12(2,3)11-10-9(14-8-15-11)6-5-7-13-10/h5-10H,4H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine?
4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-4a,8a-dihydropyrido[3,2-d]pyrimidine is sourced from PubChem (CID 135169337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).