methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate

C11H13N5O2 — CID 106715741

IUPACmethyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
SMILESCNc1cc(-c2cnn(C)c2)nc(C(=O)OC)n1
InChIInChI=1S/C11H13N5O2/c1-12-9-4-8(7-5-13-16(2)6-7)14-10(15-9)11(17)18-3/h4-6H,1-3H3,(H,12,14,15)
InChIKeyUMONZYURRSOWCV-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.71
Rot. Bonds3

About methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate

methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate (PubChem CID 106715741) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
PubChem CID106715741
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
SMILESCNc1cc(-c2cnn(C)c2)nc(C(=O)OC)n1
InChIInChI=1S/C11H13N5O2/c1-12-9-4-8(7-5-13-16(2)6-7)14-10(15-9)11(17)18-3/h4-6H,1-3H3,(H,12,14,15)
InChIKeyUMONZYURRSOWCV-UHFFFAOYSA-N
XLogP0.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-fluoro-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
CID 139447815
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
CID 86207960
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
CID 106716024
methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66287055
methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
CID 22677253
2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837
N-methyl-6-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 106715810
N-methyl-6-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716022
N-methyl-6-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 106716000
2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715801
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate (CID 106715741) is methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate is CNc1cc(-c2cnn(C)c2)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate?
The InChIKey is UMONZYURRSOWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-12-9-4-8(7-5-13-16(2)6-7)14-10(15-9)11(17)18-3/h4-6H,1-3H3,(H,12,14,15).
What are the key properties of methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate?
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate has a molecular weight of 247.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate is sourced from PubChem (CID 106715741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).