1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate

C12H22N6O3 — CID 21434569

IUPAC1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CNc1nc(NC(C)C)nc(OC)n1
InChIInChI=1S/C12H22N6O3/c1-7(2)15-10-16-9(17-11(18-10)20-5)14-6-8(3)21-12(19)13-4/h7-8H,6H2,1-5H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyYHUFHDQXSJIHCQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.86
Rot. Bonds7

About 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate

1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate (PubChem CID 21434569) has the molecular formula C12H22N6O3 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate
PubChem CID21434569
Molecular FormulaC12H22N6O3
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CNc1nc(NC(C)C)nc(OC)n1
InChIInChI=1S/C12H22N6O3/c1-7(2)15-10-16-9(17-11(18-10)20-5)14-6-8(3)21-12(19)13-4/h7-8H,6H2,1-5H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyYHUFHDQXSJIHCQ-UHFFFAOYSA-N
XLogP0.86
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate?
The IUPAC name of 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate (CID 21434569) is 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate.
What is the SMILES notation for 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate?
The canonical SMILES for 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate is CNC(=O)OC(C)CNc1nc(NC(C)C)nc(OC)n1.
What is the InChIKey of 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate?
The InChIKey is YHUFHDQXSJIHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O3/c1-7(2)15-10-16-9(17-11(18-10)20-5)14-6-8(3)21-12(19)13-4/h7-8H,6H2,1-5H3,(H,13,19)(H2,14,15,16,17,18).
What are the key properties of 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate?
1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate has a molecular weight of 298.35 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-2-yl N-methylcarbamate is sourced from PubChem (CID 21434569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).