N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide

C17H30N4O — CID 162657491

IUPACN-[3-(2-aminopyrimidin-5-yl)propyl]decanamide
SMILESCCCCCCCCCC(=O)NCCCc1cnc(N)nc1
InChIInChI=1S/C17H30N4O/c1-2-3-4-5-6-7-8-11-16(22)19-12-9-10-15-13-20-17(18)21-14-15/h13-14H,2-12H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeySHAWXFLCPVVHBA-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.25
Rot. Bonds12

About N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide

N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide (PubChem CID 162657491) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide.

Molecular Properties

Compound NameN-[3-(2-aminopyrimidin-5-yl)propyl]decanamide
PubChem CID162657491
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[3-(2-aminopyrimidin-5-yl)propyl]decanamide
SMILESCCCCCCCCCC(=O)NCCCc1cnc(N)nc1
InChIInChI=1S/C17H30N4O/c1-2-3-4-5-6-7-8-11-16(22)19-12-9-10-15-13-20-17(18)21-14-15/h13-14H,2-12H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeySHAWXFLCPVVHBA-UHFFFAOYSA-N
XLogP3.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-aminopyrimidin-5-yl)propyl]decanamide?
The IUPAC name of N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide (CID 162657491) is N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide.
What is the SMILES notation for N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide?
The canonical SMILES for N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide is CCCCCCCCCC(=O)NCCCc1cnc(N)nc1.
What is the InChIKey of N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide?
The InChIKey is SHAWXFLCPVVHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-2-3-4-5-6-7-8-11-16(22)19-12-9-10-15-13-20-17(18)21-14-15/h13-14H,2-12H2,1H3,(H,19,22)(H2,18,20,21).
What are the key properties of N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide?
N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide has a molecular weight of 306.45 g/mol, XLogP of 3.25, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide is sourced from PubChem (CID 162657491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).