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

C17H27N5O — CID 53188623

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C17H27N5O/c1-2-18-17(23)6-3-13-7-9-22(10-8-13)16-11-15(19-12-20-16)21-14-4-5-14/h11-14H,2-10H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyBKXPBSHLAJMKLW-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.18
Rot. Bonds7

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

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide (PubChem CID 53188623) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide
PubChem CID53188623
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C17H27N5O/c1-2-18-17(23)6-3-13-7-9-22(10-8-13)16-11-15(19-12-20-16)21-14-4-5-14/h11-14H,2-10H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyBKXPBSHLAJMKLW-UHFFFAOYSA-N
XLogP2.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-4-yl]-N-ethylpropanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide (CID 53188623) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide is CCNC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide?
The InChIKey is BKXPBSHLAJMKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-18-17(23)6-3-13-7-9-22(10-8-13)16-11-15(19-12-20-16)21-14-4-5-14/h11-14H,2-10H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-ethylpropanamide has a molecular weight of 317.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 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-4-yl]-N-ethylpropanamide is sourced from PubChem (CID 53188623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).