1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one

C16H26N4O — CID 90248807

IUPAC1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(Nc2cc(C(C)C)ncn2)CC1
InChIInChI=1S/C16H26N4O/c1-4-5-16(21)20-8-6-13(7-9-20)19-15-10-14(12(2)3)17-11-18-15/h10-13H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyJMMNBFXUGIKXQP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one

1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one (PubChem CID 90248807) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
PubChem CID90248807
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(Nc2cc(C(C)C)ncn2)CC1
InChIInChI=1S/C16H26N4O/c1-4-5-16(21)20-8-6-13(7-9-20)19-15-10-14(12(2)3)17-11-18-15/h10-13H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyJMMNBFXUGIKXQP-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465
1-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]-3-sulfanylbutan-1-one
CID 170045595
6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
CID 115620936
N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
CID 144655922
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 154735994
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one (CID 90248807) is 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(Nc2cc(C(C)C)ncn2)CC1.
What is the InChIKey of 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one?
The InChIKey is JMMNBFXUGIKXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-5-16(21)20-8-6-13(7-9-20)19-15-10-14(12(2)3)17-11-18-15/h10-13H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one?
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 90248807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).