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

C20H33N5O — CID 53188789

IUPACN-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C20H33N5O/c1-3-4-11-24(2)20(26)8-5-16-9-12-25(13-10-16)19-14-18(21-15-22-19)23-17-6-7-17/h14-17H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyOINZPILUSFAHFP-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.31
Rot. Bonds9

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

N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide (PubChem CID 53188789) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide
PubChem CID53188789
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C20H33N5O/c1-3-4-11-24(2)20(26)8-5-16-9-12-25(13-10-16)19-14-18(21-15-22-19)23-17-6-7-17/h14-17H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyOINZPILUSFAHFP-UHFFFAOYSA-N
XLogP3.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide?
The IUPAC name of N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide (CID 53188789) is N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide?
The canonical SMILES for N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide is CCCCN(C)C(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1.
What is the InChIKey of N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide?
The InChIKey is OINZPILUSFAHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-3-4-11-24(2)20(26)8-5-16-9-12-25(13-10-16)19-14-18(21-15-22-19)23-17-6-7-17/h14-17H,3-13H2,1-2H3,(H,21,22,23).
What are the key properties of N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide?
N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide has a molecular weight of 359.52 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 53188789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).