propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate

C10H18N6O2 — CID 59582231

IUPACpropan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
SMILESCNc1nc(NC)nc(N(C)C(=O)OC(C)C)n1
InChIInChI=1S/C10H18N6O2/c1-6(2)18-10(17)16(5)9-14-7(11-3)13-8(12-4)15-9/h6H,1-5H3,(H2,11,12,13,14,15)
InChIKeyWWDQDMIEYILCQK-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.94
Rot. Bonds4

About propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate

propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate (PubChem CID 59582231) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
PubChem CID59582231
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Namepropan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
SMILESCNc1nc(NC)nc(N(C)C(=O)OC(C)C)n1
InChIInChI=1S/C10H18N6O2/c1-6(2)18-10(17)16(5)9-14-7(11-3)13-8(12-4)15-9/h6H,1-5H3,(H2,11,12,13,14,15)
InChIKeyWWDQDMIEYILCQK-UHFFFAOYSA-N
XLogP0.94
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The IUPAC name of propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate (CID 59582231) is propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate is CNc1nc(NC)nc(N(C)C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The InChIKey is WWDQDMIEYILCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-6(2)18-10(17)16(5)9-14-7(11-3)13-8(12-4)15-9/h6H,1-5H3,(H2,11,12,13,14,15).
What are the key properties of propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate has a molecular weight of 254.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate is sourced from PubChem (CID 59582231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).