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

C14H23N5O — CID 109298408

IUPAC[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCN(C)CCNc1nccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C14H23N5O/c1-18(2)11-8-16-14-15-7-6-12(17-14)13(20)19-9-4-3-5-10-19/h6-7H,3-5,8-11H2,1-2H3,(H,15,16,17)
InChIKeyKONHVOXGUHYVDB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.08
Rot. Bonds5

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

[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109298408) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109298408
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCN(C)CCNc1nccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C14H23N5O/c1-18(2)11-8-16-14-15-7-6-12(17-14)13(20)19-9-4-3-5-10-19/h6-7H,3-5,8-11H2,1-2H3,(H,15,16,17)
InChIKeyKONHVOXGUHYVDB-UHFFFAOYSA-N
XLogP1.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109301731
2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295333
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 66903028
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298477
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109298408) is [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is CN(C)CCNc1nccc(C(=O)N2CCCCC2)n1.
What is the InChIKey of [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is KONHVOXGUHYVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-18(2)11-8-16-14-15-7-6-12(17-14)13(20)19-9-4-3-5-10-19/h6-7H,3-5,8-11H2,1-2H3,(H,15,16,17).
What are the key properties of [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 277.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109298408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).