N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

C16H23FN6O — CID 134710252

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(C)n(CCCNc2ncc(F)c(N3CCOCC3)n2)n1
InChIInChI=1S/C16H23FN6O/c1-12-10-13(2)23(21-12)5-3-4-18-16-19-11-14(17)15(20-16)22-6-8-24-9-7-22/h10-11H,3-9H2,1-2H3,(H,18,19,20)
InChIKeyMZDJANUBLBDVOF-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.77
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 134710252) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID134710252
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(C)n(CCCNc2ncc(F)c(N3CCOCC3)n2)n1
InChIInChI=1S/C16H23FN6O/c1-12-10-13(2)23(21-12)5-3-4-18-16-19-11-14(17)15(20-16)22-6-8-24-9-7-22/h10-11H,3-9H2,1-2H3,(H,18,19,20)
InChIKeyMZDJANUBLBDVOF-UHFFFAOYSA-N
XLogP1.77
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.77
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 N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 134710252) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is Cc1cc(C)n(CCCNc2ncc(F)c(N3CCOCC3)n2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is MZDJANUBLBDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-12-10-13(2)23(21-12)5-3-4-18-16-19-11-14(17)15(20-16)22-6-8-24-9-7-22/h10-11H,3-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 334.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 134710252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).