N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide

C16H22N6O2 — CID 70782889

IUPACN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1cc(N2CCOCC2)ncn1)n1cccn1
InChIInChI=1S/C16H22N6O2/c1-2-14(22-5-3-4-20-22)16(23)17-11-13-10-15(19-12-18-13)21-6-8-24-9-7-21/h3-5,10,12,14H,2,6-9,11H2,1H3,(H,17,23)
InChIKeyYAJAEDKQJXJUCP-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.78
Rot. Bonds6

About N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide

N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 70782889) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID70782889
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1cc(N2CCOCC2)ncn1)n1cccn1
InChIInChI=1S/C16H22N6O2/c1-2-14(22-5-3-4-20-22)16(23)17-11-13-10-15(19-12-18-13)21-6-8-24-9-7-21/h3-5,10,12,14H,2,6-9,11H2,1H3,(H,17,23)
InChIKeyYAJAEDKQJXJUCP-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 70782889) is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCc1cc(N2CCOCC2)ncn1)n1cccn1.
What is the InChIKey of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is YAJAEDKQJXJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-2-14(22-5-3-4-20-22)16(23)17-11-13-10-15(19-12-18-13)21-6-8-24-9-7-21/h3-5,10,12,14H,2,6-9,11H2,1H3,(H,17,23).
What are the key properties of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide?
N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 330.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 70782889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).