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

C19H31N5O2 — CID 91765661

IUPACN-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2cc(NCCCOC3CCN(C)CC3)ncn2)C1
InChIInChI=1S/C19H31N5O2/c1-14(25)23-16-10-15(11-16)18-12-19(22-13-21-18)20-6-3-9-26-17-4-7-24(2)8-5-17/h12-13,15-17H,3-11H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyDPPSOHDOINXLLY-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.77
Rot. Bonds8

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

N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide (PubChem CID 91765661) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide
PubChem CID91765661
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2cc(NCCCOC3CCN(C)CC3)ncn2)C1
InChIInChI=1S/C19H31N5O2/c1-14(25)23-16-10-15(11-16)18-12-19(22-13-21-18)20-6-3-9-26-17-4-7-24(2)8-5-17/h12-13,15-17H,3-11H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyDPPSOHDOINXLLY-UHFFFAOYSA-N
XLogP1.77
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide (CID 91765661) is N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2cc(NCCCOC3CCN(C)CC3)ncn2)C1.
What is the InChIKey of N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide?
The InChIKey is DPPSOHDOINXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(25)23-16-10-15(11-16)18-12-19(22-13-21-18)20-6-3-9-26-17-4-7-24(2)8-5-17/h12-13,15-17H,3-11H2,1-2H3,(H,23,25)(H,20,21,22).
What are the key properties of N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide?
N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[3-(1-methylpiperidin-4-yl)oxypropylamino]pyrimidin-4-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91765661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).