1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

C17H29N5O — CID 112914871

IUPAC1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCCN(CCC)c1nc(C)cc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C17H29N5O/c1-5-7-22(8-6-2)17-18-14(3)13-16(19-17)21-11-9-20(10-12-21)15(4)23/h13H,5-12H2,1-4H3
InChIKeyLNVKKQNQXZJPOM-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.08
Rot. Bonds6

About 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112914871) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112914871
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCCN(CCC)c1nc(C)cc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C17H29N5O/c1-5-7-22(8-6-2)17-18-14(3)13-16(19-17)21-11-9-20(10-12-21)15(4)23/h13H,5-12H2,1-4H3
InChIKeyLNVKKQNQXZJPOM-UHFFFAOYSA-N
XLogP2.08
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909304
ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272
N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine
CID 163473373
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 4974832
1-[4-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914842
1-[4-[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914934
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 83726827
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
ethyl 4-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112917074

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112914871) is 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is CCCN(CCC)c1nc(C)cc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is LNVKKQNQXZJPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-5-7-22(8-6-2)17-18-14(3)13-16(19-17)21-11-9-20(10-12-21)15(4)23/h13H,5-12H2,1-4H3.
What are the key properties of 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 319.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112914871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).