methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate

C9H14N4O3 — CID 21454661

IUPACmethyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1nc(OC)nc(C(C)C)n1
InChIInChI=1S/C9H14N4O3/c1-5(2)6-10-7(13-9(14)16-4)12-8(11-6)15-3/h5H,1-4H3,(H,10,11,12,13,14)
InChIKeyXMJVEKILPSTEEE-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.18
Rot. Bonds3

About methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate

methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate (PubChem CID 21454661) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate
PubChem CID21454661
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Namemethyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1nc(OC)nc(C(C)C)n1
InChIInChI=1S/C9H14N4O3/c1-5(2)6-10-7(13-9(14)16-4)12-8(11-6)15-3/h5H,1-4H3,(H,10,11,12,13,14)
InChIKeyXMJVEKILPSTEEE-UHFFFAOYSA-N
XLogP1.18
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate (CID 21454661) is methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate is COC(=O)Nc1nc(OC)nc(C(C)C)n1.
What is the InChIKey of methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate?
The InChIKey is XMJVEKILPSTEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5(2)6-10-7(13-9(14)16-4)12-8(11-6)15-3/h5H,1-4H3,(H,10,11,12,13,14).
What are the key properties of methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate?
methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate has a molecular weight of 226.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 21454661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).