[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone

C20H26N4O — CID 109249970

IUPAC[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCC(C)N(Cc1ccccc1)c1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C20H26N4O/c1-16(2)24(15-17-9-5-3-6-10-17)20-21-13-18(14-22-20)19(25)23-11-7-4-8-12-23/h3,5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-2H3
InChIKeyKJJARDBQYYYSMR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.52
Rot. Bonds5

About [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone

[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249970) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249970
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCC(C)N(Cc1ccccc1)c1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C20H26N4O/c1-16(2)24(15-17-9-5-3-6-10-17)20-21-13-18(14-22-20)19(25)23-11-7-4-8-12-23/h3,5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-2H3
InChIKeyKJJARDBQYYYSMR-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
azepan-1-yl-[2-(N-benzylanilino)pyrimidin-5-yl]methanone
CID 109264918
4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155012
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109256784
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
CID 109246544
4-[5-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230766
[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109166421
[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362945
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249970) is [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone is CC(C)N(Cc1ccccc1)c1ncc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is KJJARDBQYYYSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(2)24(15-17-9-5-3-6-10-17)20-21-13-18(14-22-20)19(25)23-11-7-4-8-12-23/h3,5-6,9-10,13-14,16H,4,7-8,11-12,15H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 338.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).