(4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone

C23H33N5O — CID 109331521

IUPAC(4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone
SMILESCCCN(CCC)c1nc(C)cc(C(=O)N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H33N5O/c1-4-11-28(12-5-2)23-24-19(3)17-21(25-23)22(29)27-15-13-26(14-16-27)18-20-9-7-6-8-10-20/h6-10,17H,4-5,11-16,18H2,1-3H3
InChIKeyQTMJLGVPFBLKGA-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.37
Rot. Bonds8

About (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone (PubChem CID 109331521) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone
PubChem CID109331521
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name(4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone
SMILESCCCN(CCC)c1nc(C)cc(C(=O)N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H33N5O/c1-4-11-28(12-5-2)23-24-19(3)17-21(25-23)22(29)27-15-13-26(14-16-27)18-20-9-7-6-8-10-20/h6-10,17H,4-5,11-16,18H2,1-3H3
InChIKeyQTMJLGVPFBLKGA-UHFFFAOYSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109331519
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
(4-benzylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109331523
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109326191
[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325932
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
[2-(diethylamino)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323152
[2-(diethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 71688921
1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326695
ethyl 2-(4-benzylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 17067460

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone (CID 109331521) is (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone is CCCN(CCC)c1nc(C)cc(C(=O)N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone?
The InChIKey is QTMJLGVPFBLKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-4-11-28(12-5-2)23-24-19(3)17-21(25-23)22(29)27-15-13-26(14-16-27)18-20-9-7-6-8-10-20/h6-10,17H,4-5,11-16,18H2,1-3H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109331521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).