3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide

C16H27N5O — CID 53188498

IUPAC3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide
SMILESCCNc1cc(N2CCC(CCC(=O)N(C)C)CC2)ncn1
InChIInChI=1S/C16H27N5O/c1-4-17-14-11-15(19-12-18-14)21-9-7-13(8-10-21)5-6-16(22)20(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNWIBBOPWEISPQG-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.99
Rot. Bonds6

About 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide (PubChem CID 53188498) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide
PubChem CID53188498
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide
SMILESCCNc1cc(N2CCC(CCC(=O)N(C)C)CC2)ncn1
InChIInChI=1S/C16H27N5O/c1-4-17-14-11-15(19-12-18-14)21-9-7-13(8-10-21)5-6-16(22)20(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNWIBBOPWEISPQG-UHFFFAOYSA-N
XLogP1.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide (CID 53188498) is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide is CCNc1cc(N2CCC(CCC(=O)N(C)C)CC2)ncn1.
What is the InChIKey of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide?
The InChIKey is NWIBBOPWEISPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-4-17-14-11-15(19-12-18-14)21-9-7-13(8-10-21)5-6-16(22)20(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide?
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide has a molecular weight of 305.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 53188498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).