methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate

C14H19N3O5 — CID 169150043

IUPACmethyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate
SMILESC=Cc1nc(NC(=O)OC(C)(C)C)nc(OC)c1C(=O)OC
InChIInChI=1S/C14H19N3O5/c1-7-8-9(11(18)21-6)10(20-5)16-12(15-8)17-13(19)22-14(2,3)4/h7H,1H2,2-6H3,(H,15,16,17,19)
InChIKeyKTLKVXPOMBMSAY-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.26
Rot. Bonds4

About methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate

methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate (PubChem CID 169150043) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate
PubChem CID169150043
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Namemethyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate
SMILESC=Cc1nc(NC(=O)OC(C)(C)C)nc(OC)c1C(=O)OC
InChIInChI=1S/C14H19N3O5/c1-7-8-9(11(18)21-6)10(20-5)16-12(15-8)17-13(19)22-14(2,3)4/h7H,1H2,2-6H3,(H,15,16,17,19)
InChIKeyKTLKVXPOMBMSAY-UHFFFAOYSA-N
XLogP2.26
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate (CID 169150043) is methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate is C=Cc1nc(NC(=O)OC(C)(C)C)nc(OC)c1C(=O)OC.
What is the InChIKey of methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate?
The InChIKey is KTLKVXPOMBMSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-7-8-9(11(18)21-6)10(20-5)16-12(15-8)17-13(19)22-14(2,3)4/h7H,1H2,2-6H3,(H,15,16,17,19).
What are the key properties of methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate?
methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 169150043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).