3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide

C19H31N5O — CID 53174530

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C19H31N5O/c1-3-23(4-2)19(25)10-7-15-6-5-11-24(13-15)18-12-17(20-14-21-18)22-16-8-9-16/h12,14-16H,3-11,13H2,1-2H3,(H,20,21,22)
InChIKeyMZVLFVIIQJHDNN-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.92
Rot. Bonds8

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide (PubChem CID 53174530) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide
PubChem CID53174530
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C19H31N5O/c1-3-23(4-2)19(25)10-7-15-6-5-11-24(13-15)18-12-17(20-14-21-18)22-16-8-9-16/h12,14-16H,3-11,13H2,1-2H3,(H,20,21,22)
InChIKeyMZVLFVIIQJHDNN-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide (CID 53174530) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide?
The InChIKey is MZVLFVIIQJHDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-3-23(4-2)19(25)10-7-15-6-5-11-24(13-15)18-12-17(20-14-21-18)22-16-8-9-16/h12,14-16H,3-11,13H2,1-2H3,(H,20,21,22).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 53174530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).