6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H29N5 — CID 20960813

IUPAC6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCN1CCN(c2ncc3c(n2)CCN(CCC)C3)CC1
InChIInChI=1S/C17H29N5/c1-3-6-20-9-11-22(12-10-20)17-18-13-15-14-21(7-4-2)8-5-16(15)19-17/h13H,3-12,14H2,1-2H3
InChIKeyUENFNPKXDMBFEE-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.78
Rot. Bonds5

About 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960813) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960813
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCN1CCN(c2ncc3c(n2)CCN(CCC)C3)CC1
InChIInChI=1S/C17H29N5/c1-3-6-20-9-11-22(12-10-20)17-18-13-15-14-21(7-4-2)8-5-16(15)19-17/h13H,3-12,14H2,1-2H3
InChIKeyUENFNPKXDMBFEE-UHFFFAOYSA-N
XLogP1.78
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960820
6-[(3,4-diethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960837
2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59670431
[1-(6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279231
6-[(2-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960723
7-butyl-2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 59670016
2-(4-ethylpiperazin-1-yl)-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960721
2-(4-methylpiperazin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960687
2-(4-methylpiperazin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;dihydrochloride
CID 146059840
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
CID 168923337
6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960920
6-[(5-methylthiophen-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960917

Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960813) is 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCN1CCN(c2ncc3c(n2)CCN(CCC)C3)CC1.
What is the InChIKey of 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UENFNPKXDMBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-3-6-20-9-11-22(12-10-20)17-18-13-15-14-21(7-4-2)8-5-16(15)19-17/h13H,3-12,14H2,1-2H3.
What are the key properties of 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 303.45 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).