5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine

C20H19FN8O — CID 67163515

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(NCc2cc(-c3ccc(F)cn3)no2)nc(N)c1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H19FN8O/c1-10-18(17-7-15(27-28-17)11-2-3-11)19(22)26-20(25-10)24-9-13-6-16(29-30-13)14-5-4-12(21)8-23-14/h4-8,11H,2-3,9H2,1H3,(H,27,28)(H3,22,24,25,26)
InChIKeyRAPUUXPWYSQWHU-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.44
Rot. Bonds6

About 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 67163515) has the molecular formula C20H19FN8O and a molecular weight of 406.43 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID67163515
Molecular FormulaC20H19FN8O
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(NCc2cc(-c3ccc(F)cn3)no2)nc(N)c1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H19FN8O/c1-10-18(17-7-15(27-28-17)11-2-3-11)19(22)26-20(25-10)24-9-13-6-16(29-30-13)14-5-4-12(21)8-23-14/h4-8,11H,2-3,9H2,1H3,(H,27,28)(H3,22,24,25,26)
InChIKeyRAPUUXPWYSQWHU-UHFFFAOYSA-N
XLogP3.44
TPSA131.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine (CID 67163515) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine is Cc1nc(NCc2cc(-c3ccc(F)cn3)no2)nc(N)c1-c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is RAPUUXPWYSQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O/c1-10-18(17-7-15(27-28-17)11-2-3-11)19(22)26-20(25-10)24-9-13-6-16(29-30-13)14-5-4-12(21)8-23-14/h4-8,11H,2-3,9H2,1H3,(H,27,28)(H3,22,24,25,26).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 406.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-yl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 67163515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).