[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H27N7O — CID 109154259

IUPAC[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)CCCNc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C19H27N7O/c1-24(2)10-4-9-20-17-6-5-16(15-23-17)18(27)25-11-13-26(14-12-25)19-21-7-3-8-22-19/h3,5-8,15H,4,9-14H2,1-2H3,(H,20,23)
InChIKeyKGRCSCXWNBQDPA-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.20
Rot. Bonds7

About [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109154259) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109154259
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)CCCNc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C19H27N7O/c1-24(2)10-4-9-20-17-6-5-16(15-23-17)18(27)25-11-13-26(14-12-25)19-21-7-3-8-22-19/h3,5-8,15H,4,9-14H2,1-2H3,(H,20,23)
InChIKeyKGRCSCXWNBQDPA-UHFFFAOYSA-N
XLogP1.20
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(3-methoxypropylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109153147
[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109207935
[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152726
[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109153778
[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109168348
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
ethyl 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]pyridine-3-carboxylate
CID 32800686
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109253522
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195

Frequently Asked Questions

What is the IUPAC name of [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109154259) is [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CN(C)CCCNc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KGRCSCXWNBQDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-24(2)10-4-9-20-17-6-5-16(15-23-17)18(27)25-11-13-26(14-12-25)19-21-7-3-8-22-19/h3,5-8,15H,4,9-14H2,1-2H3,(H,20,23).
What are the key properties of [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109154259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).