3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one

C14H23N5O — CID 80834705

IUPAC3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCCCNc1cc(N2CCNC(=O)C2(C)C)nc(C)n1
InChIInChI=1S/C14H23N5O/c1-5-6-15-11-9-12(18-10(2)17-11)19-8-7-16-13(20)14(19,3)4/h9H,5-8H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyAQYUELZUUDSQBX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.32
Rot. Bonds4

About 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one

3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one (PubChem CID 80834705) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one
PubChem CID80834705
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCCCNc1cc(N2CCNC(=O)C2(C)C)nc(C)n1
InChIInChI=1S/C14H23N5O/c1-5-6-15-11-9-12(18-10(2)17-11)19-8-7-16-13(20)14(19,3)4/h9H,5-8H2,1-4H3,(H,16,20)(H,15,17,18)
InChIKeyAQYUELZUUDSQBX-UHFFFAOYSA-N
XLogP1.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]piperazin-2-one
CID 80657652
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766284
6-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80796158
3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one
CID 104534617
3,3-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
CID 80833928
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80765301
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one
CID 80834891
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazin-2-one
CID 106767804
4-(6-chloro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 63607835
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one (CID 80834705) is 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one is CCCNc1cc(N2CCNC(=O)C2(C)C)nc(C)n1.
What is the InChIKey of 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is AQYUELZUUDSQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-6-15-11-9-12(18-10(2)17-11)19-8-7-16-13(20)14(19,3)4/h9H,5-8H2,1-4H3,(H,16,20)(H,15,17,18).
What are the key properties of 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one?
3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80834705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).