2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine

C10H17N3 — CID 177362769

IUPAC2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine
SMILESCCCC1=NCC2=C(CNCC2)N1
InChIInChI=1S/C10H17N3/c1-2-3-10-12-6-8-4-5-11-7-9(8)13-10/h11H,2-7H2,1H3,(H,12,13)
InChIKeyLSYJDNYDAGSVFS-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.04
Rot. Bonds2

About 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine

2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine (PubChem CID 177362769) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine
PubChem CID177362769
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine
SMILESCCCC1=NCC2=C(CNCC2)N1
InChIInChI=1S/C10H17N3/c1-2-3-10-12-6-8-4-5-11-7-9(8)13-10/h11H,2-7H2,1H3,(H,12,13)
InChIKeyLSYJDNYDAGSVFS-UHFFFAOYSA-N
XLogP1.04
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine (CID 177362769) is 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine is CCCC1=NCC2=C(CNCC2)N1.
What is the InChIKey of 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine?
The InChIKey is LSYJDNYDAGSVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-3-10-12-6-8-4-5-11-7-9(8)13-10/h11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine?
2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 177362769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).