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

C17H25FN6O — CID 50958743

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(C)n(CCCN(C)c2ncc(F)c(N3CCOCC3)n2)n1
InChIInChI=1S/C17H25FN6O/c1-13-11-14(2)24(21-13)6-4-5-22(3)17-19-12-15(18)16(20-17)23-7-9-25-10-8-23/h11-12H,4-10H2,1-3H3
InChIKeyUGOVERJGHFQECB-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.79
Rot. Bonds6

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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50958743) has the molecular formula C17H25FN6O and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50958743
Molecular FormulaC17H25FN6O
Molecular Weight348.43 g/mol
Exact Mass348.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(C)n(CCCN(C)c2ncc(F)c(N3CCOCC3)n2)n1
InChIInChI=1S/C17H25FN6O/c1-13-11-14(2)24(21-13)6-4-5-22(3)17-19-12-15(18)16(20-17)23-7-9-25-10-8-23/h11-12H,4-10H2,1-3H3
InChIKeyUGOVERJGHFQECB-UHFFFAOYSA-N
XLogP1.79
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (CID 50958743) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is Cc1cc(C)n(CCCN(C)c2ncc(F)c(N3CCOCC3)n2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is UGOVERJGHFQECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6O/c1-13-11-14(2)24(21-13)6-4-5-22(3)17-19-12-15(18)16(20-17)23-7-9-25-10-8-23/h11-12H,4-10H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 348.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 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-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50958743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).