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

C19H27N7O — CID 109301731

IUPAC[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)CCCNc1nccc(C(=O)N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C19H27N7O/c1-24(2)11-5-9-21-19-22-10-7-16(23-19)18(27)26-14-12-25(13-15-26)17-6-3-4-8-20-17/h3-4,6-8,10H,5,9,11-15H2,1-2H3,(H,21,22,23)
InChIKeyBFOYMMLXRIHHMB-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.20
Rot. Bonds7

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

[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109301731) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109301731
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)CCCNc1nccc(C(=O)N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C19H27N7O/c1-24(2)11-5-9-21-19-22-10-7-16(23-19)18(27)26-14-12-25(13-15-26)17-6-3-4-8-20-17/h3-4,6-8,10H,5,9,11-15H2,1-2H3,(H,21,22,23)
InChIKeyBFOYMMLXRIHHMB-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'}

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Related Compounds

[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109168348
N-[2-(dimethylamino)ethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096318
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108995090
N',N'-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 112887781
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584
1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 66903028
2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109301731) is [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CN(C)CCCNc1nccc(C(=O)N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BFOYMMLXRIHHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-24(2)11-5-9-21-19-22-10-7-16(23-19)18(27)26-14-12-25(13-15-26)17-6-3-4-8-20-17/h3-4,6-8,10H,5,9,11-15H2,1-2H3,(H,21,22,23).
What are the key properties of [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-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 [2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109301731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).