N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide

C15H20N6O2 — CID 56700312

IUPACN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide
SMILESCc1nc(NCCNC(=O)C2CCCO2)cc(-n2cccn2)n1
InChIInChI=1S/C15H20N6O2/c1-11-19-13(10-14(20-11)21-8-3-5-18-21)16-6-7-17-15(22)12-4-2-9-23-12/h3,5,8,10,12H,2,4,6-7,9H2,1H3,(H,17,22)(H,16,19,20)
InChIKeyKTFAZHWQQOKLMM-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.68
Rot. Bonds6

About N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide

N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 56700312) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide
PubChem CID56700312
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide
SMILESCc1nc(NCCNC(=O)C2CCCO2)cc(-n2cccn2)n1
InChIInChI=1S/C15H20N6O2/c1-11-19-13(10-14(20-11)21-8-3-5-18-21)16-6-7-17-15(22)12-4-2-9-23-12/h3,5,8,10,12H,2,4,6-7,9H2,1H3,(H,17,22)(H,16,19,20)
InChIKeyKTFAZHWQQOKLMM-UHFFFAOYSA-N
XLogP0.68
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide (CID 56700312) is N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide is Cc1nc(NCCNC(=O)C2CCCO2)cc(-n2cccn2)n1.
What is the InChIKey of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is KTFAZHWQQOKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-19-13(10-14(20-11)21-8-3-5-18-21)16-6-7-17-15(22)12-4-2-9-23-12/h3,5,8,10,12H,2,4,6-7,9H2,1H3,(H,17,22)(H,16,19,20).
What are the key properties of N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide?
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 56700312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).