2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H19N3 — CID 171723497

IUPAC2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC=Cc1nc2c(c(C(C)C)n1)CN(C)CC2
InChIInChI=1S/C13H19N3/c1-5-12-14-11-6-7-16(4)8-10(11)13(15-12)9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeyLIYZXZUOFXFUNU-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.23
Rot. Bonds2

About 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 171723497) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID171723497
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC=Cc1nc2c(c(C(C)C)n1)CN(C)CC2
InChIInChI=1S/C13H19N3/c1-5-12-14-11-6-7-16(4)8-10(11)13(15-12)9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeyLIYZXZUOFXFUNU-UHFFFAOYSA-N
XLogP2.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 171723497) is 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C=Cc1nc2c(c(C(C)C)n1)CN(C)CC2.
What is the InChIKey of 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LIYZXZUOFXFUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-12-14-11-6-7-16(4)8-10(11)13(15-12)9(2)3/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 217.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 171723497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).