4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H26N6 — CID 5261044

IUPAC4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC=CCN1CCc2nc(-c3ccncc3)nc(N3CCN(C)CC3)c2C1
InChIInChI=1S/C20H26N6/c1-3-9-25-10-6-18-17(15-25)20(26-13-11-24(2)12-14-26)23-19(22-18)16-4-7-21-8-5-16/h3-5,7-8H,1,6,9-15H2,2H3
InChIKeyDZLBOLKDRVRPOH-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.83
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 5261044) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID5261044
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESC=CCN1CCc2nc(-c3ccncc3)nc(N3CCN(C)CC3)c2C1
InChIInChI=1S/C20H26N6/c1-3-9-25-10-6-18-17(15-25)20(26-13-11-24(2)12-14-26)23-19(22-18)16-4-7-21-8-5-16/h3-5,7-8H,1,6,9-15H2,2H3
InChIKeyDZLBOLKDRVRPOH-UHFFFAOYSA-N
XLogP1.83
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine
CID 5261038
6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5126453
6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 3372797
N-ethyl-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 3969184
4-(azepan-1-yl)-6-(cyclohexylmethyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 3286791
4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 5261004
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787895
(4-butoxyphenyl)-[4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42787838
7-ethyl-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930411
1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56889598
4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide
CID 133307482

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 5261044) is 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is C=CCN1CCc2nc(-c3ccncc3)nc(N3CCN(C)CC3)c2C1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DZLBOLKDRVRPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-3-9-25-10-6-18-17(15-25)20(26-13-11-24(2)12-14-26)23-19(22-18)16-4-7-21-8-5-16/h3-5,7-8H,1,6,9-15H2,2H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 350.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 5261044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).