phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate

C11H10ClN5O2 — CID 174351013

IUPACphenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCNc1nc(Cl)nc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C11H10ClN5O2/c1-13-9-14-8(12)15-10(16-9)17-11(18)19-7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,17,18)
InChIKeyDCRKRKNWLABEBB-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.18
Rot. Bonds3

About phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate

phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate (PubChem CID 174351013) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
PubChem CID174351013
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC Namephenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCNc1nc(Cl)nc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C11H10ClN5O2/c1-13-9-14-8(12)15-10(16-9)17-11(18)19-7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,17,18)
InChIKeyDCRKRKNWLABEBB-UHFFFAOYSA-N
XLogP2.18
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
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phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
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phenyl N-benzoylcarbamate
CID 66560330
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phenyl N-(methylamino)carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate?
The IUPAC name of phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate (CID 174351013) is phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate.
What is the SMILES notation for phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate?
The canonical SMILES for phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate is CNc1nc(Cl)nc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate?
The InChIKey is DCRKRKNWLABEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c1-13-9-14-8(12)15-10(16-9)17-11(18)19-7-5-3-2-4-6-7/h2-6H,1H3,(H2,13,14,15,16,17,18).
What are the key properties of phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate?
phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate has a molecular weight of 279.69 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate is sourced from PubChem (CID 174351013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).