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

C12H15N5O2 — CID 66287055

IUPACmethyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2cnn(C)c2)n1
InChIInChI=1S/C12H15N5O2/c1-8-4-10(16-11(15-8)12(18)19-3)13-5-9-6-14-17(2)7-9/h4,6-7H,5H2,1-3H3,(H,13,15,16)
InChIKeyZURBAXBNEDHUOS-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.92
Rot. Bonds4

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

methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate (PubChem CID 66287055) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate
PubChem CID66287055
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Namemethyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2cnn(C)c2)n1
InChIInChI=1S/C12H15N5O2/c1-8-4-10(16-11(15-8)12(18)19-3)13-5-9-6-14-17(2)7-9/h4,6-7H,5H2,1-3H3,(H,13,15,16)
InChIKeyZURBAXBNEDHUOS-UHFFFAOYSA-N
XLogP0.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
CID 66457699
methyl 4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-2-carboxylate
CID 66287047
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-[2-(azepan-1-yl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285238
methyl 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66286050
methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284656
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
CID 106715741
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate
CID 66286437
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate (CID 66287055) is methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCc2cnn(C)c2)n1.
What is the InChIKey of methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate?
The InChIKey is ZURBAXBNEDHUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-4-10(16-11(15-8)12(18)19-3)13-5-9-6-14-17(2)7-9/h4,6-7H,5H2,1-3H3,(H,13,15,16).
What are the key properties of methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66287055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).