methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate

C10H10ClN5O2 — CID 58291728

IUPACmethyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cnn(C)c2)nc(N)c1Cl
InChIInChI=1S/C10H10ClN5O2/c1-16-4-5(3-13-16)9-14-7(10(17)18-2)6(11)8(12)15-9/h3-4H,1-2H3,(H2,12,14,15)
InChIKeyJMHDKLCFKCCEKJ-UHFFFAOYSA-N
MW267.68 g/mol
LogP0.90
Rot. Bonds2

About methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate

methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate (PubChem CID 58291728) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate
PubChem CID58291728
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Namemethyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cnn(C)c2)nc(N)c1Cl
InChIInChI=1S/C10H10ClN5O2/c1-16-4-5(3-13-16)9-14-7(10(17)18-2)6(11)8(12)15-9/h3-4H,1-2H3,(H2,12,14,15)
InChIKeyJMHDKLCFKCCEKJ-UHFFFAOYSA-N
XLogP0.90
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate (CID 58291728) is methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2cnn(C)c2)nc(N)c1Cl.
What is the InChIKey of methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate?
The InChIKey is JMHDKLCFKCCEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-16-4-5(3-13-16)9-14-7(10(17)18-2)6(11)8(12)15-9/h3-4H,1-2H3,(H2,12,14,15).
What are the key properties of methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate?
methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate has a molecular weight of 267.68 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 58291728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).