[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C21H29N5O — CID 109352116

IUPAC[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCN(CCC)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C21H29N5O/c1-3-10-25(11-4-2)20-16-19(22-17-23-20)21(27)26-14-12-24(13-15-26)18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3
InChIKeyJVKADWRNSLMPDH-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.07
Rot. Bonds7

About [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109352116) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109352116
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCN(CCC)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C21H29N5O/c1-3-10-25(11-4-2)20-16-19(22-17-23-20)21(27)26-14-12-24(13-15-26)18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3
InChIKeyJVKADWRNSLMPDH-UHFFFAOYSA-N
XLogP3.07
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109215179
ethyl 4-[6-(dipropylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352855
3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone
CID 109350765
(4-ethylpiperazin-1-yl)-[6-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109345465
[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352129
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
4-[6-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345734
[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109352986
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358

Frequently Asked Questions

What is the IUPAC name of [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109352116) is [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is CCCN(CCC)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ncn1.
What is the InChIKey of [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JVKADWRNSLMPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-3-10-25(11-4-2)20-16-19(22-17-23-20)21(27)26-14-12-24(13-15-26)18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3.
What are the key properties of [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 367.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109352116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).