[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C16H26N4O — CID 109298477

IUPAC[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCCCN(CCC)c1nccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C16H26N4O/c1-3-10-20(11-4-2)16-17-9-8-14(18-16)15(21)19-12-6-5-7-13-19/h8-9H,3-7,10-13H2,1-2H3
InChIKeyFFZUPSQPKNPIAN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds6

About [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109298477) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109298477
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCCCN(CCC)c1nccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C16H26N4O/c1-3-10-20(11-4-2)16-17-9-8-14(18-16)15(21)19-12-6-5-7-13-19/h8-9H,3-7,10-13H2,1-2H3
InChIKeyFFZUPSQPKNPIAN-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dipropylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310660
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone
CID 109310419
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
azepan-1-yl-[2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109313290
6-(azepane-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide
CID 109099778
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
[2-(diethylamino)pyrimidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109310510
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 154746917

Frequently Asked Questions

What is the IUPAC name of [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109298477) is [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is CCCN(CCC)c1nccc(C(=O)N2CCCCC2)n1.
What is the InChIKey of [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is FFZUPSQPKNPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-10-20(11-4-2)16-17-9-8-14(18-16)15(21)19-12-6-5-7-13-19/h8-9H,3-7,10-13H2,1-2H3.
What are the key properties of [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 290.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109298477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).