N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide

C13H20N6O2 — CID 90159099

IUPACN-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide
SMILESC#CCNc1nc(CCCNC(C)=O)nc(N(C)OC)n1
InChIInChI=1S/C13H20N6O2/c1-5-8-15-12-16-11(7-6-9-14-10(2)20)17-13(18-12)19(3)21-4/h1H,6-9H2,2-4H3,(H,14,20)(H,15,16,17,18)
InChIKeyJCIKUAZYKIHLPL-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.02
Rot. Bonds8

About N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide

N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide (PubChem CID 90159099) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide
PubChem CID90159099
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide
SMILESC#CCNc1nc(CCCNC(C)=O)nc(N(C)OC)n1
InChIInChI=1S/C13H20N6O2/c1-5-8-15-12-16-11(7-6-9-14-10(2)20)17-13(18-12)19(3)21-4/h1H,6-9H2,2-4H3,(H,14,20)(H,15,16,17,18)
InChIKeyJCIKUAZYKIHLPL-UHFFFAOYSA-N
XLogP-0.02
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide (CID 90159099) is N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide is C#CCNc1nc(CCCNC(C)=O)nc(N(C)OC)n1.
What is the InChIKey of N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide?
The InChIKey is JCIKUAZYKIHLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-5-8-15-12-16-11(7-6-9-14-10(2)20)17-13(18-12)19(3)21-4/h1H,6-9H2,2-4H3,(H,14,20)(H,15,16,17,18).
What are the key properties of N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide?
N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of -0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[methoxy(methyl)amino]-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]propyl]acetamide is sourced from PubChem (CID 90159099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).