(6-methylpyrimidin-4-yl) hydrogen carbonate

C6H6N2O3 — CID 67791604

IUPAC(6-methylpyrimidin-4-yl) hydrogen carbonate
SMILESCc1cc(OC(=O)O)ncn1
InChIInChI=1S/C6H6N2O3/c1-4-2-5(8-3-7-4)11-6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyFAKQBPPMXDHEKH-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.84
Rot. Bonds1

About (6-methylpyrimidin-4-yl) hydrogen carbonate

(6-methylpyrimidin-4-yl) hydrogen carbonate (PubChem CID 67791604) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is (6-methylpyrimidin-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(6-methylpyrimidin-4-yl) hydrogen carbonate
PubChem CID67791604
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name(6-methylpyrimidin-4-yl) hydrogen carbonate
SMILESCc1cc(OC(=O)O)ncn1
InChIInChI=1S/C6H6N2O3/c1-4-2-5(8-3-7-4)11-6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyFAKQBPPMXDHEKH-UHFFFAOYSA-N
XLogP0.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methylpyrimidin-4-yl) carbonochloridate
CID 83816428
2-(6-methylpyrimidin-4-yl)oxypropanoic acid
CID 82407957
(6-methylpyrimidin-4-yl) N-[2-(methylamino)ethyl]carbamate
CID 83820797
(6-methylpyrimidin-4-yl) N-(2-amino-2-methylpropyl)carbamate
CID 83823204
(6-methylpyrimidin-4-yl) N-(3-aminopropyl)carbamate
CID 83820798
3-(6-methylpyrimidin-4-yl)oxybutanoic acid
CID 82399745
(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate
CID 83820404
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437578
2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid
CID 110837140
ethane;4-methoxy-6-methylpyrimidine;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173416669
4-methyl-6-(trifluoromethoxy)pyrimidine
CID 167503979

Frequently Asked Questions

What is the IUPAC name of (6-methylpyrimidin-4-yl) hydrogen carbonate?
The IUPAC name of (6-methylpyrimidin-4-yl) hydrogen carbonate (CID 67791604) is (6-methylpyrimidin-4-yl) hydrogen carbonate.
What is the SMILES notation for (6-methylpyrimidin-4-yl) hydrogen carbonate?
The canonical SMILES for (6-methylpyrimidin-4-yl) hydrogen carbonate is Cc1cc(OC(=O)O)ncn1.
What is the InChIKey of (6-methylpyrimidin-4-yl) hydrogen carbonate?
The InChIKey is FAKQBPPMXDHEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-4-2-5(8-3-7-4)11-6(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of (6-methylpyrimidin-4-yl) hydrogen carbonate?
(6-methylpyrimidin-4-yl) hydrogen carbonate has a molecular weight of 154.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyrimidin-4-yl) hydrogen carbonate is sourced from PubChem (CID 67791604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).