(2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid

C8H9Cl2N3O2 — CID 118141130

IUPAC(2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid
SMILESCc1c(Cl)nc(Cl)nc1CN(C)C(=O)O
InChIInChI=1S/C8H9Cl2N3O2/c1-4-5(3-13(2)8(14)15)11-7(10)12-6(4)9/h3H2,1-2H3,(H,14,15)
InChIKeyKDZRLXOSRINMNT-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.20
Rot. Bonds2

About (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid

(2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid (PubChem CID 118141130) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.08 g/mol. Its IUPAC name is (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid
PubChem CID118141130
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.08 g/mol
Exact Mass249.01
IUPAC Name(2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid
SMILESCc1c(Cl)nc(Cl)nc1CN(C)C(=O)O
InChIInChI=1S/C8H9Cl2N3O2/c1-4-5(3-13(2)8(14)15)11-7(10)12-6(4)9/h3H2,1-2H3,(H,14,15)
InChIKeyKDZRLXOSRINMNT-UHFFFAOYSA-N
XLogP2.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid?
The IUPAC name of (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid (CID 118141130) is (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid.
What is the SMILES notation for (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid?
The canonical SMILES for (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid is Cc1c(Cl)nc(Cl)nc1CN(C)C(=O)O.
What is the InChIKey of (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid?
The InChIKey is KDZRLXOSRINMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2/c1-4-5(3-13(2)8(14)15)11-7(10)12-6(4)9/h3H2,1-2H3,(H,14,15).
What are the key properties of (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid?
(2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid has a molecular weight of 250.08 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-5-methylpyrimidin-4-yl)methyl-methylcarbamic acid is sourced from PubChem (CID 118141130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).