3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one

C14H23N5O — CID 80954552

IUPAC3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
SMILESCCCc1nc(NCC)cc(NC2CCCNC2=O)n1
InChIInChI=1S/C14H23N5O/c1-3-6-11-18-12(15-4-2)9-13(19-11)17-10-7-5-8-16-14(10)20/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18,19)
InChIKeySOEPYOURCIVWBL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.55
Rot. Bonds6

About 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one

3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 80954552) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
PubChem CID80954552
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
SMILESCCCc1nc(NCC)cc(NC2CCCNC2=O)n1
InChIInChI=1S/C14H23N5O/c1-3-6-11-18-12(15-4-2)9-13(19-11)17-10-7-5-8-16-14(10)20/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18,19)
InChIKeySOEPYOURCIVWBL-UHFFFAOYSA-N
XLogP1.55
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one
CID 80957227
3-[[6-(ethylamino)-2-pyridinyl]amino]piperidin-2-one
CID 80817247
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80941192
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
CID 102757774
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
CID 80817246
3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one
CID 66330181
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141
6-N-ethyl-4-N-(2-ethylcyclopropyl)-2-propylpyrimidine-4,6-diamine
CID 114110083
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
CID 80908631
3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 126428801
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one (CID 80954552) is 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one is CCCc1nc(NCC)cc(NC2CCCNC2=O)n1.
What is the InChIKey of 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is SOEPYOURCIVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-6-11-18-12(15-4-2)9-13(19-11)17-10-7-5-8-16-14(10)20/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one?
3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 80954552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).