6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide

C15H20N6O2 — CID 124881842

IUPAC6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)Nc2ccnn2C[C@H]2CCOC2)n1
InChIInChI=1S/C15H20N6O2/c1-10-7-12(19-15(16-2)18-10)14(22)20-13-3-5-17-21(13)8-11-4-6-23-9-11/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,20,22)(H,16,18,19)/t11-/m1/s1
InChIKeyCPTFXUDLDXMKRD-LLVKDONJSA-N
MW316.37 g/mol
LogP1.31
Rot. Bonds5

About 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide

6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide (PubChem CID 124881842) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide
PubChem CID124881842
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)Nc2ccnn2C[C@H]2CCOC2)n1
InChIInChI=1S/C15H20N6O2/c1-10-7-12(19-15(16-2)18-10)14(22)20-13-3-5-17-21(13)8-11-4-6-23-9-11/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,20,22)(H,16,18,19)/t11-/m1/s1
InChIKeyCPTFXUDLDXMKRD-LLVKDONJSA-N
XLogP1.31
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide (CID 124881842) is 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)Nc2ccnn2C[C@H]2CCOC2)n1.
What is the InChIKey of 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide?
The InChIKey is CPTFXUDLDXMKRD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-7-12(19-15(16-2)18-10)14(22)20-13-3-5-17-21(13)8-11-4-6-23-9-11/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,20,22)(H,16,18,19)/t11-/m1/s1.
What are the key properties of 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide?
6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124881842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).