6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide

C16H22N6O2 — CID 56731233

IUPAC6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCn2cccn2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N6O2/c1-13-12-14(20-16(19-13)21-8-10-24-11-9-21)15(23)17-4-2-6-22-7-3-5-18-22/h3,5,7,12H,2,4,6,8-11H2,1H3,(H,17,23)
InChIKeyWCKIBJBFKHTCSN-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.64
Rot. Bonds6

About 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide

6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 56731233) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
PubChem CID56731233
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCCn2cccn2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N6O2/c1-13-12-14(20-16(19-13)21-8-10-24-11-9-21)15(23)17-4-2-6-22-7-3-5-18-22/h3,5,7,12H,2,4,6,8-11H2,1H3,(H,17,23)
InChIKeyWCKIBJBFKHTCSN-UHFFFAOYSA-N
XLogP0.64
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
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 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide (CID 56731233) is 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCCn2cccn2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is WCKIBJBFKHTCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-13-12-14(20-16(19-13)21-8-10-24-11-9-21)15(23)17-4-2-6-22-7-3-5-18-22/h3,5,7,12H,2,4,6,8-11H2,1H3,(H,17,23).
What are the key properties of 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide?
6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 56731233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).