N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide

C17H27N5O — CID 91798280

IUPACN-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCNc1cc(C2CC(NC(=O)CN3CCC(C)CC3)C2)ncn1
InChIInChI=1S/C17H27N5O/c1-12-3-5-22(6-4-12)10-17(23)21-14-7-13(8-14)15-9-16(18-2)20-11-19-15/h9,11-14H,3-8,10H2,1-2H3,(H,21,23)(H,18,19,20)
InChIKeyGRRNLGPLANMZJS-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.61
Rot. Bonds5

About N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide

N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 91798280) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID91798280
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCNc1cc(C2CC(NC(=O)CN3CCC(C)CC3)C2)ncn1
InChIInChI=1S/C17H27N5O/c1-12-3-5-22(6-4-12)10-17(23)21-14-7-13(8-14)15-9-16(18-2)20-11-19-15/h9,11-14H,3-8,10H2,1-2H3,(H,21,23)(H,18,19,20)
InChIKeyGRRNLGPLANMZJS-UHFFFAOYSA-N
XLogP1.61
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 91798280) is N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide is CNc1cc(C2CC(NC(=O)CN3CCC(C)CC3)C2)ncn1.
What is the InChIKey of N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is GRRNLGPLANMZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12-3-5-22(6-4-12)10-17(23)21-14-7-13(8-14)15-9-16(18-2)20-11-19-15/h9,11-14H,3-8,10H2,1-2H3,(H,21,23)(H,18,19,20).
What are the key properties of N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 317.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 91798280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).